KIN001-021 - Small Molecule (ID:10212-101)

HMS LINCS ID: 10212-101
Name: KIN001-021
Alternative Names: CGP082996; CINK4; ZINC01493715
LINCS ID: LSM-1213
PubChem CID: 24825971
ChEBI ID:
ChEMBL ID: 1242367
Molecular Mass: 456.26
InChi: InChI=1S/C27H32N6O/c1-2-28-25-17-26(29-21-8-11-23(34)12-9-21)32-27(31-25)30-22-10-13-24-20(16-22)14-15-33(24)18-19-6-4-3-5-7-19/h3-7,10,13-17,21,23,34H,2,8-9,11-12,18H2,1H3,(H3,28,29,30,31,32)
InChi Key: YVXCDLCJCIDFHE-UHFFFAOYSA-N
SMILES: CCNC1=NC(=NC(=C1)NC2CCC(CC2)O)NC3=CC4=C(C=C3)N(C=C4)CC5=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
2
(equivalent to 100 nM ≤ Kd < 1µM)
CDK4, EPHA3
3
(equivalent to 1µM ≤ Kd < 10 µM)
CCND1, CDK6
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
20225
CGP082996 KINOMEscan
KINOMEscan

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10212-101-1 Nathanael Gray (DFCI)