Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50098877'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chymase (Homo sapiens (Human))	BDBM50098877 (4-{2-[5-Amino-2-(3-methoxy-phenyl)-6-oxo-6H-pyrimi...) Show SMILES COc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H29F2N5O5/c1-43-23-14-8-13-22(16-23)28-35-18-24(34)29(41)38(28)19-26(39)37-25(15-20-9-4-2-5-10-20)27(40)31(32,33)30(42)36-17-21-11-6-3-7-12-21/h2-14,16,18,25H,15,17,19,34H2,1H3,(H,36,42)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description In vitro inhibitory activity was determined against human heart chymase				J Med Chem 44: 1297-304 (2001) BindingDB Entry DOI: 10.7270/Q22R3SCD
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