BDBM50170301 (S)-2-{4'-[(Benzofuran-2-ylmethyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid::CHEMBL408720

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NCc2cc3ccccc3o2)cc1)C(O)=O

InChI Key: InChIKey=IXVZBDKTAIRGPK-VWLOTQADSA-N

Data: 3 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 3 hits for monomerid = 50170301   

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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50170301 ((S)-2-{4'-[(Benzofuran-2-ylmethyl)-amino]-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NCc2cc3ccccc3o2)cc1)C(O)=O Show InChI InChI=1S/C26H26N2O5S/c1-17(2)25(26(29)30)28-34(31,32)23-13-9-19(10-14-23)18-7-11-21(12-8-18)27-16-22-15-20-5-3-4-6-24(20)33-22/h3-15,17,25,27-28H,16H2,1-2H3,(H,29,30)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-14				Bioorg Med Chem Lett 15: 4105-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.019 BindingDB Entry DOI: 10.7270/Q2TX3DXK
					More data for this Ligand-Target Pair
Matrix metalloproteinase 13 (Bos taurus)	BDBM50170301 ((S)-2-{4'-[(Benzofuran-2-ylmethyl)-amino]-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NCc2cc3ccccc3o2)cc1)C(O)=O Show InChI InChI=1S/C26H26N2O5S/c1-17(2)25(26(29)30)28-34(31,32)23-13-9-19(10-14-23)18-7-11-21(12-8-18)27-16-22-15-20-5-3-4-6-24(20)33-22/h3-15,17,25,27-28H,16H2,1-2H3,(H,29,30)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-13 of bovine articular cartilage explants				Bioorg Med Chem Lett 15: 4105-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.019 BindingDB Entry DOI: 10.7270/Q2TX3DXK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50170301 ((S)-2-{4'-[(Benzofuran-2-ylmethyl)-amino]-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NCc2cc3ccccc3o2)cc1)C(O)=O Show InChI InChI=1S/C26H26N2O5S/c1-17(2)25(26(29)30)28-34(31,32)23-13-9-19(10-14-23)18-7-11-21(12-8-18)27-16-22-15-20-5-3-4-6-24(20)33-22/h3-15,17,25,27-28H,16H2,1-2H3,(H,29,30)/t25-/m0/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-2				Bioorg Med Chem Lett 15: 4105-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.019 BindingDB Entry DOI: 10.7270/Q2TX3DXK
					More data for this Ligand-Target Pair