BI-2536 - Small Molecule (ID:10041-999)
| HMS LINCS ID: |
10041-999
|
| 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: | 2016-07-12 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
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) |
Batch Information for HMSL10041-999-4:
| HMS LINCS Batch ID: | 10041-999-4 |
| Provider: | |
| Provider Batch ID: | |
| Salt: | 999 |
| Molecular Formula: | |
| Molecular Weight: | |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2016-05-27 |
| Most Recent Update: | 2016-12-02 |
(Kd <100 nM)