BDBM323167 US9630931, Example 25

SMILES: COc1cc(OCCNCCN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=OBVXGLSXBIUHSQ-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 = 323167   

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))	BDBM323167 (US9630931, Example 25) Show SMILES COc1cc(OCCNCCN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C21H26ClN7O4/c1-31-19-11-18(33-7-3-24-2-4-29-5-8-32-9-6-29)16(22)10-17(19)27-21(30)28-20-14-25-15(12-23)13-26-20/h10-11,13-14,24H,2-9H2,1H3,(H2,26,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	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
					More data for this Ligand-Target Pair