Nintedanib - Small Molecule (ID:10151-101)
| HMS LINCS ID: |
10151-101
|
| Name: | Nintedanib |
| Alternative Names: | BIBF-1120; Vargatef |
| LINCS ID: | LSM-1152 |
| PubChem CID: | 56965894 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 539.25 |
| InChi: | InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38) |
| InChi Key: | XZXHXSATPCNXJR-UHFFFAOYSA-N |
| SMILES: | CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)NC(=C3C4=C(C=C(C=C4)C(=O)OC)NC3=O)C5=CC=CC=C5 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
AAK1, ABL1, ALK, AXL, BMP2K, BMPR2, CDK16, CDK17, CLK1, CLK4, CSF1R, DDR1, DDR2, FER, FGFR1, FLG, FLT1, FLT3, FLT4, GRK4, GSK3B, IGF1R, INSR, INSRR, JAK2, JAK3, Kdr, KDR, KIT, LCK, LRRK2, MAP2K1, MAP2K2, MAP2K5, MAP3K19, MAP3K2, MAP3K3, MAP3K7, MAP4K1, MELK, MERTK, MINK1, MST1, NTRK1, NTRK2, NTRK3, NUAK2, PDGFRA, PDGFRB, PIP4K2B, PIP5K1A, pknB, PLK4, PRKAA1, PRKAA2, PRKG1, PRPF4B, PTK2B, RET, RIOK1, RIOK3, RPS6KA2, RPS6KA3, SLK, SRPK1, SRPK2, SRPK3, STK10, STK11, STK16, STK26, STK3, STK4, TKT, TNIK, TTK, ULK3, YES1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ACVR1, AIM1, AURKB, AURKC, BLK, BTK, CAMK1G, CAMKK1, CAMKK2, CDK14, CDK18, CDK4, CDK7, CHEK1, CLK2, CSNK1E, CSNK2A2, DCLK1, DCLK3, EPHA6, EPHB1, EPHB6, FGFR2, FGFR3, FGR, FYN, GSK3A, HIPK2, HIPK3, IKBKE, IRAK1, IRAK4, ITK, LATS1, LATS2, LTK, LYN, MAP3K11, MAP3K12, MAP3K13, MAP3K9, MAP4K2, MAP4K3, MAP4K4, MAP4K5, MAPK10, MAPK8, MARK3, MET, MUSK, MYLK, MYLK3, MYLK4, NUAK1, PAK3, PHKG1, PHKG2, PKD1, PKD2, PKN1, PRKD1, PRKD2, PRKD3, PTK2, RIPK1, RIPK4, RPS6KA1, RPS6KA4, RPS6KA5, RPS6KA6, RPS6KB1, SBK1, SIK1, SIK1B, SIK2, SRC, STK17A, STK17B, STK24, STK35, STK39, TBK1, TNK1, TPTEP2-CSNK1E, TXK, TYK2, ULK1, ULK2 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL2, ACVR1B, ACVRL1, C8orf44-SGK3, CAMK1, CAMK1D, CAMK2A, CAMK4, CDK2, CDKL2, CHUK, CSNK1D, CSNK2A1, DAPK2, DAPK3, DYRK1B, EIF2AK4, EPHA1, EPHA2, EPHA3, EPHB4, ERN1, FES, FGFR4, FRK, GRK1, GRK7, HCK, HIPK1, HIPK4, ICK, IRAK3, JAK1, MAP2K3, MAP2K4, MAP3K10, MAP3K15, MAPK7, MARK1, MARK2, MARK4, MAST1, MYLK2, MYO3B, OSR1, OXSR1, PAK2, PAK4, PAK5, PDK1, PDPK1, PF3D7_0217500, PKN2, PRKCQ, ROS1, SBK3, SGK3, STK33, TEK, TGFBR1, TIE1, TNK2, TSSK1B, 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 |
| 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 |
| 20369 | Binding affinity of 6 small molecule JAK inhibitors for 5 kinases | Affinity Data |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10151-101-1 | Haoyuan chemexpress | HM-046_TM-20100707 |
(Kd <100 nM)