BAY61-3606 - Small Molecule (ID:10166-107)

HMS LINCS ID: 10166-107
Name: BAY61-3606
Alternative Names:
LINCS ID: LSM-1167
PubChem CID: 10200390
ChEBI ID:
ChEMBL ID: 1190711
Molecular Mass: 390.14
InChi: InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
InChi Key: JWQOJVOKBAAAAR-UHFFFAOYSA-N
SMILES: COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC
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)
CDC7, CLK4, FLT3, GSK3A, GSK3B, MAP4K2, NEK4, PRKD3, ROCK2, SYK
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL1, AIM1, AURKB, CDK1, CDK2, CDK5, CDK9, CLK2, CSF1R, DYRK1A, DYRK3, FLT1, FYN, GCK, HIPK2, IGF1R, INSR, INSRR, KIT, MAP3K11, MAP3K7, MAP4K3, MAP4K4, MET, NUAK1, PKD1, PKD2, PKN2, PRKD2, RIPK2, ROCK1, SLK
3
(equivalent to 1µM ≤ Kd < 10 µM)
AKT1, AKT2, ALK, AURKA, BLK, BTK, CAMK1, CAMK2B, CAMK2D, CAMK2G, CHEK1, CHEK2, CSNK1A1, CSNK1D, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, DAPK3, DYRK4, EGFR, EPHA2, ERBB2, ERBB4, FER, FGFR1, FGFR3, FLG, FRK, HIPK4, IRAK1, ITK, JAK2, JAK3, KDR, LCK, MAP4K5, MAPK1, MAPK12, MAPK13, MAPK8, MAPK9, MAPKAPK2, MAPKAPK5, MARK3, MATK, MELK, MINK1, MKNK2, NTRK1, NTRK2, NTRK3, PAK4, PBK, PDK1, PDPK1, PHKG2, PIM2, PIM3, PLK1, PLK3, PLK4, PRKAA1, PRKACA, PRKCD, PRKCG, PRKCI, PRKG1, PRKG2, PRKX, PTK6, RET, RPS6KA3, RPS6KA5, RPS6KB1, SRC, SRMS, SRPK1, STK17A, STK3, TSSK1B, TSSK2, TYK2, TYRO3
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

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10166-107-2 Sigma-Aldrich 098K46012