BindingDB PrimarySearch

BDBM28485 (2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene}sulfonamido)-3-methylbutanoic acid::CHEMBL187523::benzofuran, 1

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O

InChI Key: InChIKey=HJFONKSERLWIGE-DEOSSOPVSA-N

Data: 13 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 28485
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
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...				J Med Chem 52: 1799-802 (2009) Article DOI: 10.1021/jm900093d BindingDB Entry DOI: 10.7270/Q2X928NP
Wyeth Research					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...				J Med Chem 52: 1799-802 (2009) Article DOI: 10.1021/jm900093d BindingDB Entry DOI: 10.7270/Q2X928NP
Wyeth Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.60E+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: 4105-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.019 BindingDB Entry DOI: 10.7270/Q2TX3DXK
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase 13 (Bos taurus)	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-13 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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human MMP2				J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	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
Collagenase 3 (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.40	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				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.40	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
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	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
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM28485 ((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	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: 4105-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.019 BindingDB Entry DOI: 10.7270/Q2TX3DXK
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair