BDBM120919 US8716287, 52

SMILES: COc1cc(CCN[C@@H](C)c2ccc(cc2)N2CCNCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=UFNKCSXYVGPOEY-SFHVURJKSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 120919   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM120919 (US8716287, 52) Show SMILES COc1cc(CCN[C@@H](C)c2ccc(cc2)N2CCNCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r| Show InChI InChI=1S/C27H31ClN8O2/c1-18(19-3-5-22(6-4-19)36-11-9-30-10-12-36)31-8-7-20-13-25(38-2)24(14-23(20)28)34-27(37)35-26-17-32-21(15-29)16-33-26/h3-6,13-14,16-18,30-31H,7-12H2,1-2H3,(H2,33,34,35,37)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.5	n/a
Sentinel Oncology Limited US Patent					Assay Description The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...				US Patent US8716287 (2014) BindingDB Entry DOI: 10.7270/Q2TD9W0C
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