Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50098883'   

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))	BDBM50098883 (4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-a...) Show SMILES CCN(CC)C(=O)CCNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1 Show InChI InChI=1S/C31H36F2N6O5/c1-4-38(5-2)26(41)14-15-35-30(44)31(32,33)27(42)24(17-21-11-7-6-8-12-21)37-25(40)19-39-28(36-18-23(34)29(39)43)22-13-9-10-20(3)16-22/h6-13,16,18,24H,4-5,14-15,17,19,34H2,1-3H3,(H,35,44)(H,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33.7	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
					More data for this Ligand-Target Pair