BDBM323168 US9630931, Example 26

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

InChI Key: InChIKey=TXEZUKVURBUNFA-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 = 323168   

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))	BDBM323168 (US9630931, Example 26) Show SMILES COc1cc(CCNCC(=O)N2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C22H27ClN8O3/c1-30-5-7-31(8-6-30)21(32)14-25-4-3-15-9-19(34-2)18(10-17(15)23)28-22(33)29-20-13-26-16(11-24)12-27-20/h9-10,12-13,25H,3-8,14H2,1-2H3,(H2,27,28,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...				US Patent US9630931 (2017) BindingDB Entry DOI: 10.7270/Q29C70J1
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