BI-2536 - Small Molecule (ID:10041-101)

HMS LINCS ID: 10041-101
Name: BI-2536
Alternative Names: NPK33-1-98-1
LINCS ID: LSM-1041
PubChem CID: 11364421
ChEBI ID:
ChEMBL ID: 513909
Molecular Mass: 521.31
InChi: InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
InChi Key: XQVVPGYIWAGRNI-JOCHJYFZSA-N
SMILES: CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)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
1
(Kd <100 nM)
BRD4, CAMKK1, CAMKK2, MYLK, PLK1, PLK2, PLK3, RPS6KA4
2
(equivalent to 100 nM ≤ Kd < 1µM)
ALK, CLK1, CLK2, CLK3, CSNK1E, DAPK1, DAPK2, DAPK3, EIF2AK2, GAK, GRK7, MAP3K19, NEK3, NIM1K, PIP4K2C, PKD1, PKD2, PRKD1, PRKD2, PRKD3, PTK2, PTK2B, RPS6KA2, RPS6KA5, TPTEP2-CSNK1E
3
(equivalent to 1µM ≤ Kd < 10 µM)
AAK1, ABL1, CAMK1D, CAMK2A, CAMK2B, CAMK2D, CAMK2G, CDK4, CDK7, CHEK2, CIT, CSNK1A1, CSNK1D, CSNK1G1, CSNK1G2, CSNK1G3, DCLK1, DMPK, EGFR, FES, FLT3, HIPK1, HIPK2, HIPK3, HIPK4, HUNK, IRAK1, IRAK4, LTK, MAPK10, MAPK7, MERTK, MET, MINK1, MYO3A, MYO3B, NEK2, NEK7, PHKG2, PIK3CD, RIOK1, RIOK3, RPS6KA1, RPS6KA6, SLK, STK10, STK16, STK33, SYK, TAOK3, TTK
10
(confirmed non-binding)
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Batch Information for HMSL10041-101-1:

HMS LINCS Batch ID: 10041-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HM-002_TM-20101224
Salt: 101
Molecular Formula: C28H39N7O3
Molecular Weight: 521.65
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10041-101-1:

Date HMS QC Outcome Comment Files
02/22/2011 PASS None