BDBM50098880 3-{4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-acetylamino]-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino}-benzoic acid::CHEMBL284702

SMILES: Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=SNCGFOXGVUAVRV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50098880   

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
Chymase (Homo sapiens (Human))	BDBM50098880 (3-{4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl...) Show SMILES Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F2N5O6/c1-18-7-5-10-20(13-18)27-35-16-23(34)28(41)38(27)17-25(39)37-24(14-19-8-3-2-4-9-19)26(40)31(32,33)30(44)36-22-12-6-11-21(15-22)29(42)43/h2-13,15-16,24H,14,17,34H2,1H3,(H,36,44)(H,37,39)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.70	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
Chymotrypsin (Homo sapiens (Human))	BDBM50098880 (3-{4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl...) Show SMILES Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F2N5O6/c1-18-7-5-10-20(13-18)27-35-16-23(34)28(41)38(27)17-25(39)37-24(14-19-8-3-2-4-9-19)26(40)31(32,33)30(44)36-22-12-6-11-21(15-22)29(42)43/h2-13,15-16,24H,14,17,34H2,1H3,(H,36,44)(H,37,39)(H,42,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	780	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 bovine pancreas chymotrypsin				J Med Chem 44: 1297-304 (2001) BindingDB Entry DOI: 10.7270/Q22R3SCD
					More data for this Ligand-Target Pair