BDBM50098842 2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-acetylamino}-3-phenyl-propionyl)-benzooxazole-5-carboxylic acid diethylamide::CHEMBL284545

SMILES: CCN(CC)C(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1

InChI Key: InChIKey=XKDCZUJYJWQXCC-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 = 50098842   

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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50098842 (2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...) Show SMILES CCN(CC)C(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C33H31FN6O5/c1-3-39(4-2)32(43)22-12-15-27-25(17-22)38-31(45-27)29(42)26(16-20-8-6-5-7-9-20)37-28(41)19-40-30(36-18-24(35)33(40)44)21-10-13-23(34)14-11-21/h5-15,17-18,26H,3-4,16,19,35H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description Inhibitory activity against alpha chymotrypsin from bovine pancreas.				J Med Chem 44: 1286-96 (2001) BindingDB Entry DOI: 10.7270/Q26H4J4K
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50098842 (2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...) Show SMILES CCN(CC)C(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C33H31FN6O5/c1-3-39(4-2)32(43)22-12-15-27-25(17-22)38-31(45-27)29(42)26(16-20-8-6-5-7-9-20)37-28(41)19-40-30(36-18-24(35)33(40)44)21-10-13-23(34)14-11-21/h5-15,17-18,26H,3-4,16,19,35H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	59.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description Inhibitory activity evaluated against chymase from human heart.				J Med Chem 44: 1286-96 (2001) BindingDB Entry DOI: 10.7270/Q26H4J4K
					More data for this Ligand-Target Pair