BDBM50077162 (R)-3-(1H-Indol-3-yl)-2-[4-(4-methoxy-phenylethynyl)-benzenesulfonylamino]-propionic acid::CHEMBL296327

SMILES: COc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=CLEKQCRHVLOQSA-RUZDIDTESA-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 = 50077162   

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))	BDBM50077162 ((R)-3-(1H-Indol-3-yl)-2-[4-(4-methoxy-phenylethyny...) Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C26H22N2O5S/c1-33-21-12-8-18(9-13-21)6-7-19-10-14-22(15-11-19)34(31,32)28-25(26(29)30)16-20-17-27-24-5-3-2-4-23(20)24/h2-5,8-15,17,25,27-28H,16H2,1H3,(H,29,30)/t25-/m1/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	n/a	n/a	0.650	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))	BDBM50077162 ((R)-3-(1H-Indol-3-yl)-2-[4-(4-methoxy-phenylethyny...) Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C26H22N2O5S/c1-33-21-12-8-18(9-13-21)6-7-19-10-14-22(15-11-19)34(31,32)28-25(26(29)30)16-20-17-27-24-5-3-2-4-23(20)24/h2-5,8-15,17,25,27-28H,16H2,1H3,(H,29,30)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	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-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