BDBM50066652 CHEMBL117054::{(S)-3-Methyl-1-[3-oxo-4-(4-phenoxy-benzoylamino)-pyrrolidine-1-carbonyl]-butyl}-carbamic acid benzyl ester

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(NC(=O)c2ccc(Oc3ccccc3)cc2)C(=O)C1

InChI Key: InChIKey=YOSVFFSVHNMNOO-QBHOUYDASA-N

Data: 3 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 3 hits for monomerid = 50066652   

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
Cathepsin K (Homo sapiens (Human))	BDBM50066652 (CHEMBL117054 | {(S)-3-Methyl-1-[3-oxo-4-(4-phenoxy...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(NC(=O)c2ccc(Oc3ccccc3)cc2)C(=O)C1 Show InChI InChI=1S/C31H33N3O6/c1-21(2)17-26(33-31(38)39-20-22-9-5-3-6-10-22)30(37)34-18-27(28(35)19-34)32-29(36)23-13-15-25(16-14-23)40-24-11-7-4-8-12-24/h3-16,21,26-27H,17-20H2,1-2H3,(H,32,36)(H,33,38)/t26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin K				J Med Chem 41: 3563-7 (1998) Article DOI: 10.1021/jm980295f BindingDB Entry DOI: 10.7270/Q2G15ZZB
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50066652 (CHEMBL117054 | {(S)-3-Methyl-1-[3-oxo-4-(4-phenoxy...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(NC(=O)c2ccc(Oc3ccccc3)cc2)C(=O)C1 Show InChI InChI=1S/C31H33N3O6/c1-21(2)17-26(33-31(38)39-20-22-9-5-3-6-10-22)30(37)34-18-27(28(35)19-34)32-29(36)23-13-15-25(16-14-23)40-24-11-7-4-8-12-24/h3-16,21,26-27H,17-20H2,1-2H3,(H,32,36)(H,33,38)/t26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin L				J Med Chem 41: 3563-7 (1998) Article DOI: 10.1021/jm980295f BindingDB Entry DOI: 10.7270/Q2G15ZZB
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50066652 (CHEMBL117054 | {(S)-3-Methyl-1-[3-oxo-4-(4-phenoxy...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(NC(=O)c2ccc(Oc3ccccc3)cc2)C(=O)C1 Show InChI InChI=1S/C31H33N3O6/c1-21(2)17-26(33-31(38)39-20-22-9-5-3-6-10-22)30(37)34-18-27(28(35)19-34)32-29(36)23-13-15-25(16-14-23)40-24-11-7-4-8-12-24/h3-16,21,26-27H,17-20H2,1-2H3,(H,32,36)(H,33,38)/t26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin B				J Med Chem 41: 3563-7 (1998) Article DOI: 10.1021/jm980295f BindingDB Entry DOI: 10.7270/Q2G15ZZB
					More data for this Ligand-Target Pair