BDBM50101736 (R)-(4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-oxo-pyrrolidin-1-yl)-cyclohexyl]-acetic acid::CHEMBL62021

SMILES: COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@@H](CC1)N1CCCC1=O)C(O)=O

InChI Key: InChIKey=LYRRCUUSLOFAKG-YOSAUDMPSA-N

Data: 1 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 1 hit for monomerid = 50101736   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50101736 ((R)-(4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@@H](CC1)N1CCCC1=O)C(O)=O |wU:19.26,wD:18.19,22.27,(22.1,2.89,;20.76,3.64,;19.44,2.87,;18.08,3.64,;16.76,2.87,;16.77,1.32,;18.11,.56,;19.44,1.32,;15.45,.56,;14.11,1.32,;12.79,.53,;12.79,-1.01,;14.11,-1.75,;15.45,-1.01,;11.45,-1.75,;12.52,-2.86,;10.34,-2.86,;10.11,-1.01,;8.78,-1.75,;8.78,-3.32,;10.11,-4.06,;10.11,-5.6,;8.75,-6.37,;7.43,-5.6,;7.43,-4.06,;8.78,-7.9,;10.01,-8.83,;9.53,-10.29,;7.99,-10.29,;7.52,-8.83,;6.07,-8.33,;7.44,-1.01,;6.09,-1.75,;7.43,.53,)| Show InChI InChI=1S/C25H30N2O6S/c1-33-21-12-6-17(7-13-21)18-8-14-22(15-9-18)34(31,32)26-24(25(29)30)19-4-10-20(11-5-19)27-16-2-3-23(27)28/h6-9,12-15,19-20,24,26H,2-5,10-11,16H2,1H3,(H,29,30)/t19-,20-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair