BDBM120917 US8716287, 50

SMILES: COc1cc(CCNCc2ccc(cc2)N2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=YOHAITXHVKTKKO-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 120917   

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))	BDBM120917 (US8716287, 50) Show SMILES COc1cc(CCNCc2ccc(cc2)N2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C27H31ClN8O2/c1-35-9-11-36(12-10-35)22-5-3-19(4-6-22)16-30-8-7-20-13-25(38-2)24(14-23(20)28)33-27(37)34-26-18-31-21(15-29)17-32-26/h3-6,13-14,17-18,30H,7-12,16H2,1-2H3,(H2,32,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	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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