CHIR-99021 - Small Molecule (ID:10180-101)

HMS LINCS ID: 10180-101
Name: CHIR-99021
Alternative Names: CT99021; KIN001-157
LINCS ID: LSM-1181
PubChem CID: 9956119
ChEBI ID:
ChEMBL ID:
Molecular Mass: 464.10
InChi: InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)
InChi Key: AQGNHMOJWBZFQQ-UHFFFAOYSA-N
SMILES: CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
GSK3A, GSK3B
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL1, FLT1, FYN
3
(equivalent to 1µM ≤ Kd < 10 µM)
AIM1, AKT1, AKT2, ALK, AURKA, AURKB, AXL, BLK, CAMK1, CAMK2B, CAMK2D, CAMK2G, CCNB1, CCNB2, CCNB3, CDC7, CDK1, CDK2, CHEK1, CHEK2, CHUK, CLK2, CLK4, CSF1R, CSNK1A1, CSNK1D, CSNK1G1, CSNK1G2, CSNK2A1, DAPK3, DYRK1A, DYRK3, EEF2K, EGFR, EPHA2, ERBB2, ERBB4, FGFR1, FGFR3, FLG, FLT3, FLT4, HIPK2, HIPK4, IGF1R, IKBKB, INSR, IRAK1, ITK, JAK2, JAK3, KDR, KIT, LCK, LIMK1, LYN, MAP4K2, MAP4K5, MAPK1, MAPK12, MAPK13, MAPK8, MAPK9, MAPKAPK2, MAPKAPK5, MARK2, MARK3, MELK, MET, MINK1, NEK4, NTRK1, NTRK2, PAK4, PASK, PDK1, PDPK1, PHKG2, PIM2, PKN2, PLK1, PLK3, PLK4, PRKAA1, PRKACA, PRKCD, PRKCG, PRKCZ, PRKD3, PRKG1, PRKG2, PRKX, PTK2, PTK2B, PTK6, RET, ROCK2, RPS6KA3, RPS6KA5, RPS6KB1, SLK, SRC, SRPK1, STK3, TAOK1, TSSK1B, TSSK2, TYK2
10
(confirmed non-binding)
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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

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10180-101-1 Haoyuan chemexpress HY-10182_1-20100831
10180-101-2 MedChem Express 05974