NVP-TAE684 - Small Molecule (ID:10024-101)
| HMS LINCS ID: |
10024-101
|
| Name: | NVP-TAE684 |
| Alternative Names: | TAE-684 |
| LINCS ID: | LSM-1024 |
| PubChem CID: | 16038120 |
| ChEBI ID: | |
| ChEMBL ID: | 509032 |
| Molecular Mass: | 613.26 |
| InChi: | InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) |
| InChi Key: | QQWUGDVOUVUTOY-UHFFFAOYSA-N |
| SMILES: | CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-07-12 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
ABL1, ACVR1, ACVR1B, ACVRL1, Alk, ALK, AURKA, AURKC, AXL, BLK, BMPR1B, BTK, CAMK4, CAMKK1, CAMKK2, CHEK1, CHEK2, CLK1, CLK2, CLK4, COQ8B, CSF1R, DCLK1, DCLK2, DCLK3, DSTYK, EGFR, EPHA1, FER, FES, FGFR1, FLT3, FLT4, FRK, GAK, IGF1R, INSR, INSRR, IRAK1, IRAK4, ITK, JAK2, JAK3, LCK, LRRK2, LTK, MAP3K12, MAP3K13, MAP4K3, MAPK10, MAPK7, MARK1, MARK2, MARK3, MARK4, MELK, MERTK, MKNK2, MYO3A, MYO3B, NUAK1, NUAK2, OSR1, OXSR1, PAK3, PHKG1, PHKG2, PKD1, PLK1, PLK4, PRKAA1, PRKAA2, PRKD1, PRKD3, PTK2, PTK2B, PTK6, ROCK1, ROS1, RPS6KA2, RPS6KA3, RPS6KA6, SBK1, SBK3, SIK1, SIK1B, SIK2, SLK, STK10, STK32A, STK32B, STK32C, STK33, TAOK1, TAOK3, TEK, TIE1, TNK1, TNK2, TSSK1B, TSSK2, TTK, ULK1, ULK2, ULK3, YES1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | AAK1, ABL2, AIM1, AURKB, BMPR1A, BRSK1, BRSK2, CAMK1, CAMK1D, CAMK2A, CAMK2D, CAMK2G, CASK, CDK1, CDK16, CDK17, CDK4, CDK5, CDK7, CLK3, DAPK2, DDR1, EPHA2, EPHA4, EPHA6, EPHA7, EPHB1, EPHB2, EPHB3, EPHB4, EPHB6, ERBB2, ERBB4, ERN1, FGFR2, FGFR3, FGFR4, FGR, FLG, FLT1, FYN, GCK, GRK1, GRK5, GRK7, HCK, HIPK4, HUNK, IRAK3, JAK1, KDR, KIT, LIMK1, LYN, MAP2K1, MAP2K1, MAP2K2, MAP2K3, MAP2K4, MAP2K5, MAP3K11, MAP3K15, MAP3K2, MAP3K3, MAP3K7, MAP3K9, MAP4K1, MAP4K2, MAP4K4, MAP4K5, MAPK1, MAPK15, MAPK3, MAPK8, MAPK9, MET, MINK1, MST1, MST1R, MUSK, MYLK, NEK8, NEK9, NTRK1, NTRK2, PAK1, PAK5, PDGFRA, PDGFRB, PF3D7_0217500, PHKA2, PI4KB, PKD2, PKN1, PKN2, PLK3, PRKD2, PRKG1, PRKG2, RET, ROCK2, RPS6KA1, SNRK, SRC, SRC, SRMS, STK16, STK26, STK3, STK35, STK38, STK38L, STK39, STK4, SYK, TAOK2, TBK1, TEC, TGFBR1, TGFBR2, TXK, TYK2 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ACVR2A, ACVR2B, AKT1, AKT2, ANKK1, BMP2K, BMPR2, BMX, BUB1B-PAK6, CAMK1G, CAMK2B, CDC42BPA, CDC42BPB, CDC42BPG, CDC7, CDK15, CDK2, CDK8, CDK9, COQ8A, CSK, CSNK1A1, CSNK1A1L, CSNK1D, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, CSNK2A2, DAPK1, DAPK3, DDR2, DMPK, DYRK1A, DYRK1B, DYRK3, DYRK4, EIF2AK4, EPHA3, EPHA5, FPGT-TNNI3K, GRK4, GSK3A, GSK3B, HIPK1, HIPK2, HIPK3, ICK, IKBKE, Insr, KARS, LATS1, LATS2, LIMK2, MAP2K6, MAP3K1, MAP3K10, MAP3K19, MAP3K4, MAP3K6, MAPK12, MAPK13, MAPK14, MAPKAPK2, MAPKAPK5, MAST1, MATK, NEK2, NEK3, NEK4, NEK6, NEK7, NIM1K, NTRK3, PAK2, PAK4, PAK6, PDK1, PDPK1, PIM1, PIM2, PIM3, PIP4K2C, PIP5K1A, pknB, PLK2, PRKACA, PRKACB, PRKCD, PRKCE, PRKCG, PRKCI, PRKCQ, PRKX, PRPF4B, RIOK3, RIPK2, RIPK4, RPS6KA4, RPS6KB1, SIK3, SRPK1, SRPK3, STK17A, STK17B, STK24, STK25, STK36, TKT, TNIK, TNNI3K, TYRO3, WEE1, ZAP70 |
10 (confirmed non-binding) |
Datasets:
| HMS Dataset ID | Dataset Title | HMS Dataset Type |
|---|---|---|
| 20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
| 20109 | NVP-TAE684 KINOMEscan | KINOMEscan |
| 20237 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 1 of 15: Cell count and relative growth within biological replicate 1. | Microscopy/Imaging |
| 20238 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 2 of 15: Cell count and relative growth within biological replicate 2. | Microscopy/Imaging |
| 20239 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 3 of 15: Cell count and relative growth within biological replicate 3. | Microscopy/Imaging |
| 20240 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 4 of 15: Mean cell count and mean growth rate across biological replicate 1. | Microscopy/Imaging |
| 20241 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 5 of 15: Mean cell count and mean growth rate across biological replicate 2. | Microscopy/Imaging |
| 20242 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 6 of 15: Mean cell count and mean growth rate across biological replicate 3. | Microscopy/Imaging |
| 20243 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 7 of 15: Mean cell count and mean growth rate across all replicates. | Microscopy/Imaging |
| 20245 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 8 of 15: Cell count and normalized growth rate inhibition values within biological replicate 1. | Microscopy/Imaging |
| 20246 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 9 of 15: Cell count and normalized growth rate inhibition values within biological replicate 2. | Microscopy/Imaging |
| 20247 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 10 of 15: Cell count and normalized growth rate inhibition values within biological replicate 3. | Microscopy/Imaging |
| 20248 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 11 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 1. | Microscopy/Imaging |
| 20249 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 12 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 2. | Microscopy/Imaging |
| 20250 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 13 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 3. | Microscopy/Imaging |
| 20251 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 14 of 15: Mean cell count and mean normalized growth rate inhibition values across all replicates. | Microscopy/Imaging |
| 20252 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 15 of 15: Calculated dose-response metrics. | Analysis |
| 20256 | Breast Cancer Cell Density: Imaging assay of the density- and context-dependence of small molecule perturbagen response in breast cancer cell lines. Dataset 1 of 3: Cell count and normalized growth rate inhibition values. | Microscopy/Imaging |
| 20257 | Breast Cancer Cell Density: Imaging assay of the density- and context-dependence of small molecule perturbagen response in breast cancer cell lines. Dataset 2 of 3: Mean cell count and mean normalized growth rate inhibition values across all replicates. | Microscopy/Imaging |
| 20258 | Breast Cancer Cell Density: Imaging assay of the density- and context-dependence of small molecule perturbagen response in breast cancer cell lines. Dataset 3 of 3: Calculated dose-response metrics. | Analysis |
| 20259 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (drug combination treatments). Dataset 1 of 2: Cell count and normalized growth rate inhibition values. | Microscopy/Imaging |
| 20260 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (drug combination treatments). Dataset 2 of 2: Mean cell count and mean normalized growth rate inhibition values across technical replicates. | Microscopy/Imaging |
KINOMEscan Image
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10024-101-1 | Haoyuan chemexpress | HM-035_TM-20100518 |
| 10024-101-2 | Haoyuan chemexpress |
(Kd <100 nM)