HMS LINCS Project

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ALW-II-49-7 - Small Molecule (ID:10003-101)

HMS LINCS ID:	10003-101
Name:	ALW-II-49-7
Alternative Names:
LINCS ID:	LSM-1003
PubChem CID:	24875320
ChEBI ID:
ChEMBL ID:
Molecular Mass:	414.13
InChi:	InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
InChi Key:	SAAYRHKJHDIDPH-UHFFFAOYSA-N
SMILES:	CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=CN=CC(=C3)C(=O)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)	EPHB2
2 (equivalent to 100 nM ≤ Kd < 1µM)	DDR1, DDR2, EPHA2, EPHA3, EPHA4, EPHA5, EPHA8, EPHB3, EPHB4, KIT, PDGFRA, PDGFRB
10 (confirmed non-binding)	(Click to show)AAK1, ABL1, ACVR1, ACVR1B, ACVR2A, ACVR2B, ACVRL1, AKT1, AKT2, AKT3, ALK, ANKK1, AURKA, AURKB, AURKC, AXL, BLK, BMP2K, BMPR1A, BMPR1B, BMPR2, BMX, BRSK1, BRSK2, BTK, BUB1B-PAK6, CAMK1, CAMK1D, CAMK1G, CAMK2A, CAMK2B, CAMK2D, CAMK2G, CAMK4, CAMKK1, CAMKK2, CDC42BPA, CDC42BPB, CDC42BPG, CDK11A, CDK11B, CDK14, CDK15, CDK16, CDK17, CDK18, CDK2, CDK3, CDK5, CDK7, CDK8, CDK9, CDKL2, CHEK1, CHEK2, CHUK, CIT, CLK1, CLK2, CLK3, CLK4, COQ8A, COQ8B, CSK, CSNK1A1L, CSNK1D, CSNK1E, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, CSNK2A2, DAPK1, DAPK2, DAPK3, DCLK1, DCLK2, DCLK3, DMPK, DYRK1B, EGFR, EIF2AK2, EIF2AK4, EPHA1, EPHA6, EPHA7, ERBB2, ERBB4, FER, FES, FGFR1, FGFR2, FGFR3, FGFR4, FGR, FLT3, FLT4, FYN, GAK, GSK3A, GSK3B, HCK, HIPK1, IGF1R, IKBKB, IKBKE, INSR, INSRR, IRAK3, ITK, JAK1, JAK2, JAK3, KDR, LATS1, LATS2, LIMK1, LIMK2, LTK, MAP2K1, MAP2K2, MAP2K3, MAP2K4, MAP2K6, MAP3K10, MAP3K11, MAP3K12, MAP3K3, MAP3K4, MAP3K5, MAP3K7, MAP3K9, MAP4K1, MAP4K2, MAP4K3, MAP4K4, MAP4K5, MAPK1, MAPK10, MAPK11, MAPK12, MAPK13, MAPK15, MAPK3, MAPK4, MAPK6, MAPK7, MAPK8, MAPK9, MAPKAPK2, MAPKAPK5, MARK1, MARK2, MARK3, MARK4, MELK, MERTK, MET, MINK1, MKNK1, MKNK2, MST1R, MUSK, MYLK, MYLK2, MYLK3, MYLK4, MYO3A, MYO3B, NEK1, NEK2, NEK5, NEK6, NEK7, NEK9, NLK, NTRK1, NUAK1, NUAK2, PAK1, PAK2, PAK3, PAK4, PAK5, PAK6, PDPK1, PHKG1, PHKG2, 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, RET, RIOK1, RIOK2, RIOK3, RIPK1, RIPK2, ROCK2, ROS1, RPS6KA1, RPS6KA2, RPS6KA3, RPS6KA4, RPS6KA5, RPS6KA6, SBK3, SIK1, SIK1B, SIK2, SLK, SRC, SRMS, SRPK1, SRPK2, SRPK3, STK10, STK11, STK16, STK17A, STK17B, STK24, STK25, STK26, STK3, STK32B, STK32C, STK33, STK35, STK36, STK38L, STK4, SYK, TAOK1, TAOK3, TEC, TEK, TESK1, TGFBR1, TGFBR2, TIE1, TLK1, TLK2, TNIK, TNK1, TNK2, TPTEP2-CSNK1E, TSSK1B, TTK, TXK, TYK2, TYRO3, ULK1, ULK2, ULK3, WEE1, WEE2, YES1, 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
20050	ALW-II-49-7 KINOMEscan	KINOMEscan

KINOMEscan Image

Batch Information:

HMS LINCS Batch ID	Provider	Provider Batch ID
10003-101-1	Nathanael Gray (DFCI)	ALW-II-49-7-1

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