HMS LINCS Project

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KIN001-127 - Small Molecule (ID:10043-101)

HMS LINCS ID:	10043-101
Name:	KIN001-127
Alternative Names:
LINCS ID:	LSM-1043
PubChem CID:	20635522
ChEBI ID:
ChEMBL ID:
Molecular Mass:	609.24
InChi:	InChI=1S/C31H39N5O4S2/c1-19(2)21(4)32-17-23-7-9-24(10-8-23)29(38)34-31-33-18-28(42-31)41-27-16-25(26(40-6)15-20(27)3)30(39)36-13-11-35(12-14-36)22(5)37/h7-10,15-16,18-19,21,32H,11-14,17H2,1-6H3,(H,33,34,38)
InChi Key:	RRHONYZEMUNMJX-UHFFFAOYSA-N
SMILES:	CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(C)C(C)C
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)	ITK
10 (confirmed non-binding)	(Click to show)AAK1, ABL1, ABL2, ACVR1, ACVR1B, ACVR2A, ACVR2B, ACVRL1, AKT1, AKT2, AKT3, ANKK1, AURKA, AURKB, AURKC, BLK, BMP2K, BMPR1A, BMPR1B, BMPR2, BMX, BRAF, BRSK1, BRSK2, BUB1B-PAK6, CAMK1, CAMK1D, CAMK1G, CAMK2A, CAMK2B, CAMK2D, CAMK2G, CAMK4, CAMKK1, CDC42BPA, CDC42BPB, CDC42BPG, CDK11A, CDK11B, CDK14, CDK15, CDK16, CDK17, CDK18, CDK19, CDK2, CDK3, CDK5, CDK8, CDK9, CDKL2, CHEK1, CHEK2, CHUK, CIT, COQ8A, COQ8B, CSF1R, CSK, CSNK1A1L, CSNK1D, CSNK1E, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, CSNK2A2, DAPK1, DAPK3, DCLK2, DDR1, DDR2, DMPK, DYRK1B, EGFR, EIF2AK2, EIF2AK4, EPHA1, EPHA4, EPHA5, EPHA7, EPHA8, EPHB2, EPHB3, EPHB4, ERBB2, ERBB4, FES, FGFR1, FGFR2, FGFR3, FGFR4, FGR, FLT1, FLT4, FPGT-TNNI3K, FRK, FYN, GAK, GSK3A, GSK3B, HCK, HIPK1, IKBKB, IKBKE, IRAK3, JAK1, JAK2, JAK3, KDR, KIT, LATS1, LATS2, LIMK1, LIMK2, LYN, MAP2K1, MAP2K2, MAP2K3, MAP2K4, MAP2K6, MAP3K10, MAP3K11, MAP3K20, MAP3K3, MAP3K5, MAP3K7, MAP3K9, MAP4K2, MAP4K3, MAP4K4, MAP4K5, MAPK1, MAPK10, MAPK11, MAPK12, MAPK13, MAPK14, MAPK15, MAPK3, MAPK4, MAPK6, MAPK7, MAPK8, MAPK9, MAPKAPK2, MAPKAPK5, MARK1, MARK2, MARK3, MARK4, MELK, MINK1, MKNK1, MKNK2, MST1R, MYLK, MYLK2, MYLK3, MYLK4, MYO3A, MYO3B, NEK1, NEK5, NEK9, NLK, NTRK3, NUAK1, PAK1, PAK2, PAK3, PAK4, PAK5, PAK6, PDGFRA, PDGFRB, PDPK1, PHKG1, PIK3C2B, PIK3CA, PIK3CB, PIK3CD, PIK3CG, PIM1, PIM2, PIM3, PIP4K2B, PIP5K1A, PKMYT1, PKN1, PKN2, PLK1, PLK3, PLK4, PRKAA1, PRKAA2, PRKACA, PRKACB, PRKCD, PRKCE, PRKCH, PRKCQ, PRKD1, PRKD2, PRKD3, PRKG1, PRKG2, PRKX, PTK2, PTK2B, PTK6, RAF1, RET, RIOK1, RIOK2, RIOK3, RIPK1, RIPK2, ROCK2, ROS1, RPS6KA1, RPS6KA2, RPS6KA3, RPS6KA4, RPS6KA5, RPS6KA6, SBK3, SIK1, SIK1B, SIK2, SRMS, SRPK1, SRPK2, SRPK3, STK11, STK16, STK17A, STK17B, STK25, STK26, STK3, STK32B, STK32C, STK35, STK36, STK4, SYK, TESK1, TGFBR1, TGFBR2, TLK1, TLK2, TNIK, TNK1, TNK2, TNNI3K, TPTEP2-CSNK1E, TSSK1B, TTK, TXK, TYK2, TYRO3, ULK3, WEE1, ZAP70

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
20058	KIN001-127 KINOMEscan	KINOMEscan

KINOMEscan Image

Batch Information:

HMS LINCS Batch ID	Provider	Provider Batch ID
10043-101-1	Haoyuan chemexpress	HM-090A_TM-20110318
10043-101-2	Haoyuan chemexpress

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