KIN001-135 - Small Molecule (ID:10215-101)

HMS LINCS ID: 10215-101
Name: KIN001-135
Alternative Names: GSK319347A; HMS3229F19; CAY10576; ZINC19795634; AKOS002364333; NCGC00242056-01; benzimidazole-thiophene carbonitrile; EC-000.2375
LINCS ID: LSM-1216
PubChem CID: 11626927
ChEBI ID:
ChEMBL ID: 373751
Molecular Mass: 469.08
InChi: InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3
InChi Key: LDTAHRLHGHFHKP-UHFFFAOYSA-N
SMILES: COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4=CC=CC=C4S(=O)(=O)C)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)
IKBKE, TBK1
2
(equivalent to 100 nM ≤ Kd < 1µM)
AURKA, AURKB, BRSK2, CHEK2, CLK2, EPHB3, FLT1, GCK, IRAK4, JAK2, MAP3K11, MAP3K9, MAPK15, MINK1, NTRK1, PHKA2, PLK1, PRKAA1, PRKAA2, PRKAB1, PRKAB2, RIPK2, RPS6KA1, STK3, TAOK1
3
(equivalent to 1µM ≤ Kd < 10 µM)
AIM1, TGFBR1
10
(confirmed non-binding)
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Batch Information for HMSL10215-101-1:

HMS LINCS Batch ID: 10215-101-1
Provider: Nathanael Gray (DFCI)/GSK
Provider Batch ID:
Salt: 101
Molecular Formula:
Molecular Weight:
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-12-02