HMS LINCS Project

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Dinaciclib - Small Molecule (ID:10287-101)

HMS LINCS ID:	10287-101
Name:	Dinaciclib
Alternative Names:	SCH727965
LINCS ID:	LSM-6306
PubChem CID:	46926350
ChEBI ID:
ChEMBL ID:
Molecular Mass:	396.23
InChi:	InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
InChi Key:	PIMQWRZWLQKKBJ-SFHVURJKSA-N
SMILES:	CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO
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)	CDK1, CDK14, CDK2, CDK5, CDK9
10 (confirmed non-binding)	(Click to show)AAK1, ABL1, ABL2, ACVR1, ACVR1B, ACVR2A, ACVR2B, AKT1, AKT2, AKT3, ANKK1, AURKA, AURKB, BLK, BMP2K, BMPR1A, BMPR1B, BMPR2, BMX, BRAF, BRSK1, BRSK2, BTK, BUB1, BUB1B-PAK6, C8orf44-SGK3, CAMK1, CAMK1D, CAMK1G, CAMK2A, CAMK2B, CAMK2D, CAMK2G, CDC42BPA, CDC42BPB, CDC42BPG, CDK11B, CDK8, CHEK1, CHUK, CIT, CLK3, COQ8A, CSK, CSNK1G1, CSNK1G2, CSNK1G3, CSNK2A1, CSNK2A2, DAPK1, DAPK2, DAPK3, DDR1, DDR2, DMPK, EGFR, EIF2AK4, EPHA1, EPHA2, EPHA3, EPHA4, EPHA5, EPHA6, EPHA7, EPHA8, EPHB1, EPHB2, EPHB3, EPHB4, EPHB6, ERBB2, ERBB3, ERBB4, FER, FES, FGFR2, FGFR3, FGFR4, FGR, FLT1, FLT3, FLT4, FPGT-TNNI3K, FRK, FYN, GAK, GRK1, GRK4, HCK, HUNK, IGF1R, INSRR, IRAK1, ITK, JAK1, JAK2, JAK3, KDR, KIT, LATS1, LATS2, LCK, LIMK1, LIMK2, LTK, LYN, MAP2K1, MAP2K2, MAP2K3, MAP2K5, MAP2K6, MAP2K7, MAP3K1, MAP3K10, MAP3K11, MAP3K12, MAP3K13, MAP3K14, MAP3K19, MAP3K20, MAP3K3, MAP3K4, MAP3K5, MAP3K6, MAP3K9, MAP4K1, MAP4K2, MAP4K3, MAP4K4, MAP4K5, MAPK1, MAPK11, MAPK12, MAPK14, MAPK3, MAPK4, MAPK6, MAPKAPK2, MAPKAPK5, MARK1, MARK4, MAST1, MATK, MELK, MERTK, MINK1, MKNK1, MKNK2, MST1R, MTOR, MUSK, MYLK, MYLK2, MYLK3, MYLK4, MYO3A, NEK1, NEK11, NEK2, NEK3, NEK4, NEK5, NEK6, NEK7, NEK9, NIM1K, NLK, NTRK1, NTRK2, NTRK3, NUAK1, PAK1, PAK2, PAK6, PDGFRA, PDPK1, PI4KB, PIK3C2B, PIK3C2G, PIK3CA, PIK3CB, PIK3CD, PIK3CG, PIM1, PIM2, PIM3, PIP4K2B, PIP4K2C, PIP5K1A, PKMYT1, PKN1, PKN2, pknB, PLK2, PLK3, PLK4, PRKACA, PRKACB, PRKCD, PRKCE, PRKCH, PRKCQ, PRKD2, PRKD3, PRKX, PRPF4B, PTK2, PTK2B, PTK6, RAF1, RET, RIPK1, RIPK2, ROCK1, ROCK2, ROS1, RPS6KA4, RPS6KA5, RPS6KB1, SBK3, SGK2, SGK3, SIK1, SIK1B, SIK2, SIK3, SLK, SNRK, SRC, SRMS, SRPK1, SRPK2, SRPK3, STK10, STK11, STK16, STK17A, STK17B, STK32A, STK32B, STK32C, STK33, STK35, STK38L, STK4, SYK, TBK1, TEC, TEK, TESK1, TGFBR1, TGFBR2, TIE1, TNIK, TNK1, TNK2, TNNI3K, TRPM6, TSSK1B, TXK, TYK2, TYRO3, ULK3, VRK2, WEE1, WEE2, WNK1, WNK3, 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
20128	Dinaciclib KINOMEscan	KINOMEscan
20343	Breast Cancer Profiling Project, Drug Sensitivity phase I: Fixed-cell GR measures of 35 breast cell lines to 34 small molecule perturbagens from library plate I. Dataset 1 of 2: Normalized growth rate inhibition values	Microscopy/Imaging
20344	Breast Cancer Profiling Project, Drug Sensitivity phase I: Fixed-cell GR measures of 35 breast cell lines to 34 small molecule perturbagens from library plate I. Dataset 2 of 2: Calculated dose response metrics	Analysis

KINOMEscan Image

Batch Information:

HMS LINCS Batch ID	Provider	Provider Batch ID
10287-101-1	Selleck Chemicals
10287-101-2	MedChem Express	14760

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