BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50025876   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50247490
PNG
(4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid ...)
Show SMILES CCCCCCOc1ccc(cc1)C(CC(O)=O)C(N)=O
Show InChI InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50247207
PNG
(2-(biphenyl-4-ylsulfonamido)pentanedioic acid | CH...)
Show SMILES OC(=O)CCC(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50247490
PNG
(4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid ...)
Show SMILES CCCCCCOc1ccc(cc1)C(CC(O)=O)C(N)=O
Show InChI InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 670n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM40467
PNG
(2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...)
Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 920n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM40467
PNG
(2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...)
Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 920n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50247207
PNG
(2-(biphenyl-4-ylsulfonamido)pentanedioic acid | CH...)
Show SMILES OC(=O)CCC(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50247490
PNG
(4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid ...)
Show SMILES CCCCCCOc1ccc(cc1)C(CC(O)=O)C(N)=O
Show InChI InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM40478
PNG
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Show SMILES COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16)
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/an/a 1.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50247207
PNG
(2-(biphenyl-4-ylsulfonamido)pentanedioic acid | CH...)
Show SMILES OC(=O)CCC(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by HxBPyne probe-based competitive activity based protein profiling assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50247207
PNG
(2-(biphenyl-4-ylsulfonamido)pentanedioic acid | CH...)
Show SMILES OC(=O)CCC(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM40478
PNG
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Show SMILES COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16)
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/an/a 2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by HxBPyne probe-based competitive activity based protein profiling assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50247490
PNG
(4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid ...)
Show SMILES CCCCCCOc1ccc(cc1)C(CC(O)=O)C(N)=O
Show InChI InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by HxBPyne probe-based competitive activity based protein profiling assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM40478
PNG
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Show SMILES COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM40467
PNG
(2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...)
Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM40478
PNG
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Show SMILES COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM40467
PNG
(2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...)
Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair