BDBM50077153 (R)-3-Phenyl-2-(4-phenylethynyl-benzenesulfonylamino)-propionic acid::CHEMBL49186

SMILES: OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1

InChI Key: InChIKey=VFURABQMPHTDQE-JOCHJYFZSA-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 = 50077153   

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))	BDBM50077153 ((R)-3-Phenyl-2-(4-phenylethynyl-benzenesulfonylami...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C23H19NO4S/c25-23(26)22(17-20-9-5-2-6-10-20)24-29(27,28)21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22,24H,17H2,(H,25,26)/t22-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)				J Med Chem 42: 1723-38 (1999) Article DOI: 10.1021/jm980514x BindingDB Entry DOI: 10.7270/Q2KP81BQ
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50077153 ((R)-3-Phenyl-2-(4-phenylethynyl-benzenesulfonylami...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C23H19NO4S/c25-23(26)22(17-20-9-5-2-6-10-20)24-29(27,28)21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22,24H,17H2,(H,25,26)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)				J Med Chem 42: 1723-38 (1999) Article DOI: 10.1021/jm980514x BindingDB Entry DOI: 10.7270/Q2KP81BQ
					More data for this Ligand-Target Pair