BDBM50414225 CHEMBL551086

SMILES: OC1CC(COc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)CC1O

InChI Key: InChIKey=PVYNMYVSGGFCOU-UHFFFAOYSA-N

Data: 1 KI

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 = 50414225   

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))	BDBM50414225 (CHEMBL551086) Show SMILES OC1CC(COc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)CC1O Show InChI InChI=1S/C18H18ClN5O4/c19-11-1-2-16(28-9-10-3-14(25)15(26)4-10)13(5-11)23-18(27)24-17-8-21-12(6-20)7-22-17/h1-2,5,7-8,10,14-15,25-26H,3-4,9H2,(H2,22,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
					More data for this Ligand-Target Pair