BDBM50297245 (S)-3-methyl-2-(4-(5-(4-(methylsulfonamido)benzofuran-2-carboxamido)pyridin-2-yl)phenylsulfonamido)butanoic acid::CHEMBL562607

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O

InChI Key: InChIKey=WXFYHQKQOWMEDX-DEOSSOPVSA-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 = 50297245   

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))	BDBM50297245 ((S)-3-methyl-2-(4-(5-(4-(methylsulfonamido)benzofu...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O |r| Show InChI InChI=1S/C26H26N4O8S2/c1-15(2)24(26(32)33)30-40(36,37)18-10-7-16(8-11-18)20-12-9-17(14-27-20)28-25(31)23-13-19-21(29-39(3,34)35)5-4-6-22(19)38-23/h4-15,24,29-30H,1-3H3,(H,28,31)(H,32,33)/t24-/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	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50297245 ((S)-3-methyl-2-(4-(5-(4-(methylsulfonamido)benzofu...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O |r| Show InChI InChI=1S/C26H26N4O8S2/c1-15(2)24(26(32)33)30-40(36,37)18-10-7-16(8-11-18)20-12-9-17(14-27-20)28-25(31)23-13-19-21(29-39(3,34)35)5-4-6-22(19)38-23/h4-15,24,29-30H,1-3H3,(H,28,31)(H,32,33)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
					More data for this Ligand-Target Pair