KIN001-111 - Small Molecule (ID:10213-101)

HMS LINCS ID: 10213-101
Name: KIN001-111
Alternative Names: A770041
LINCS ID: LSM-1214
PubChem CID: 9549184
ChEBI ID:
ChEMBL ID: 197603
Molecular Mass: 621.32
InChi: InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)
InChi Key: ZMNWFTYYYCSSTF-UHFFFAOYSA-N
SMILES: CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)C(=NC=N4)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)
EGFR, ERBB2, ERBB4, LIMK1
2
(equivalent to 100 nM ≤ Kd < 1µM)
ABL1, ABL2, AIM1, AURKA, AURKB, BLK, CDC42BPA, CDC42BPB, CDC42BPG, CHEK2, CSF1R, CSK, CSNK1E, FER, FLT1, FPGT-TNNI3K, FRK, FYN, HCK, LATS2, LCK, LIMK2, LYN, MAP2K1, MAP2K2, MAP4K3, MAP4K5, NEK2, PAK4, PDGFRB, PLK4, PTK6, RIPK2, ROCK1, SRC, SRMS, STK10, STK36, TESK1, TNNI3K, TPTEP2-CSNK1E, TXK, YES1
3
(equivalent to 1µM ≤ Kd < 10 µM)
AKT1, AKT2, CAMK1, CDK1, CDK2, CHEK1, CSNK1D, CSNK2A1, DAPK3, DYRK1A, EPHA2, FGFR1, FGFR3, FLG, FLT3, FLT4, GSK3A, GSK3B, IGF1R, INSR, JAK2, KIT, MAPK1, MAPK8, MAPK9, MARK2, MARK3, MET, NTRK1, NTRK2, PAK1, PDK1, PDPK1, PIM2, PLK1, PLK3, ROCK2, RPS6KA3, RPS6KB1, STK3
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
20113
A770041 KINOMEscan
 KINOMEscan

KINOMEscan Image

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10213-101-1 Nathanael Gray (DFCI)