BDBM50253302 4-Benzoyloxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-carboxylicacid methyl ester::CHEMBL492461

SMILES: COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc(C)cc1)OC(=O)c1ccccc1

InChI Key: InChIKey=OGHSZTARJCMZOC-AEFFLSMTSA-N

Data: 2 IC50

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 = 50253302   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50253302 (4-Benzoyloxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-...) Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc(C)cc1)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H21NO6S/c1-14-8-10-17(11-9-14)28(24,25)21-13-16(12-18(21)20(23)26-2)27-19(22)15-6-4-3-5-7-15/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay				Bioorg Med Chem 16: 7932-8 (2008) Article DOI: 10.1016/j.bmc.2008.07.073 BindingDB Entry DOI: 10.7270/Q2MP533K
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50253302 (4-Benzoyloxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-...) Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc(C)cc1)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H21NO6S/c1-14-8-10-17(11-9-14)28(24,25)21-13-16(12-18(21)20(23)26-2)27-19(22)15-6-4-3-5-7-15/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of APN (unknown origin) by spectrophotometric assay				Bioorg Med Chem 16: 7932-8 (2008) Article DOI: 10.1016/j.bmc.2008.07.073 BindingDB Entry DOI: 10.7270/Q2MP533K
					More data for this Ligand-Target Pair