BDBM50297241 (S)-3-methyl-2-(4'-(3-methyl-4-(prop-1-ynyl)benzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)butanoic acid::CHEMBL559804

SMILES: CC#Cc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12

InChI Key: InChIKey=PXHGETTXNHZYEU-MHZLTWQESA-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 = 50297241   

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))	BDBM50297241 ((S)-3-methyl-2-(4'-(3-methyl-4-(prop-1-ynyl)benzof...) Show SMILES CC#Cc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C30H28N2O6S/c1-5-7-22-8-6-9-25-26(22)19(4)28(38-25)29(33)31-23-14-10-20(11-15-23)21-12-16-24(17-13-21)39(36,37)32-27(18(2)3)30(34)35/h6,8-18,27,32H,1-4H3,(H,31,33)(H,34,35)/t27-/m0/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	1.50E+4	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))	BDBM50297241 ((S)-3-methyl-2-(4'-(3-methyl-4-(prop-1-ynyl)benzof...) Show SMILES CC#Cc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C30H28N2O6S/c1-5-7-22-8-6-9-25-26(22)19(4)28(38-25)29(33)31-23-14-10-20(11-15-23)21-12-16-24(17-13-21)39(36,37)32-27(18(2)3)30(34)35/h6,8-18,27,32H,1-4H3,(H,31,33)(H,34,35)/t27-/m0/s1	PDB MMDB NCI pathway 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	9.5	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