BindingDB PrimarySearch

BDBM50173223 (S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid::(S)-2-{4'-[(5-Bromo-4-methoxy-3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid::CHEMBL198262

SMILES: COc1c(Br)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12

InChI Key: InChIKey=HHHAELOQIYTSIY-DEOSSOPVSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50173223
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Aggrecanase 1				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt 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 Inhibitory concentration against MMP-14				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-1				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	73	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-8				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-13				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
Pomona College Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TACE				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	144	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-3				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	866	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-7				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	2.30	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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	1.70E+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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50173223 ((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...) Show SMILES Show InChI	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	1.70E+3	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: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair