BindingDB logo
myBDB logout

PubMed code 28626528

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50268316
PNG
(CHEMBL4080186)
Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(C3CCCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C22H22N4O4S/c27-17-10-30-16-7-6-12(8-15(16)24-17)9-23-21(29)19-25-20(28)18-14(11-31-22(18)26-19)13-4-2-1-3-5-13/h6-8,11,13H,1-5,9-10H2,(H,23,29)(H,24,27)(H,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.470n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50268309
PNG
(CHEMBL4088060)
Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc3CCCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C22H22N4O4S/c27-17-11-30-15-8-7-12(9-14(15)24-17)10-23-21(29)19-25-20(28)18-13-5-3-1-2-4-6-16(13)31-22(18)26-19/h7-9H,1-6,10-11H2,(H,23,29)(H,24,27)(H,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.590n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50268309
PNG
(CHEMBL4088060)
Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc3CCCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C22H22N4O4S/c27-17-11-30-15-8-7-12(9-14(15)24-17)10-23-21(29)19-25-20(28)18-13-5-3-1-2-4-6-16(13)31-22(18)26-19/h7-9H,1-6,10-11H2,(H,23,29)(H,24,27)(H,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.710n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50268317
PNG
(CHEMBL4076356)
Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc(cc2c(=O)[nH]1)C1CCCCC1
Show InChI InChI=1S/C22H22N4O4S/c27-18-11-30-16-7-6-12(8-15(16)24-18)10-23-21(29)19-25-20(28)14-9-17(31-22(14)26-19)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,23,29)(H,24,27)(H,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50268316
PNG
(CHEMBL4080186)
Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(C3CCCCC3)c2c(=O)[nH]1
Show InChI InChI=1S/C22H22N4O4S/c27-17-10-30-16-7-6-12(8-15(16)24-17)9-23-21(29)19-25-20(28)18-14(11-31-22(18)26-19)13-4-2-1-3-5-13/h6-8,11,13H,1-5,9-10H2,(H,23,29)(H,24,27)(H,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50268317
PNG
(CHEMBL4076356)
Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc(cc2c(=O)[nH]1)C1CCCCC1
Show InChI InChI=1S/C22H22N4O4S/c27-18-11-30-16-7-6-12(8-15(16)24-18)10-23-21(29)19-25-20(28)14-9-17(31-22(14)26-19)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,23,29)(H,24,27)(H,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50268310
PNG
(CHEMBL4069479)
Show SMILES FC(F)(F)c1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C23H15F3N4O4S/c24-23(25,26)13-4-2-12(3-5-13)14-10-35-22-18(14)20(32)29-19(30-22)21(33)27-8-11-1-6-16-15(7-11)28-17(31)9-34-16/h1-7,10H,8-9H2,(H,27,33)(H,28,31)(H,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
36n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50268311
PNG
(CHEMBL4104422)
Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(CCc3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C24H20N4O4S/c29-19-12-32-18-9-7-15(10-17(18)26-19)11-25-23(31)21-27-22(30)20-16(13-33-24(20)28-21)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11-12H2,(H,25,31)(H,26,29)(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50268311
PNG
(CHEMBL4104422)
Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(CCc3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C24H20N4O4S/c29-19-12-32-18-9-7-15(10-17(18)26-19)11-25-23(31)21-27-22(30)20-16(13-33-24(20)28-21)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11-12H2,(H,25,31)(H,26,29)(H,27,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
6.50E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50268310
PNG
(CHEMBL4069479)
Show SMILES FC(F)(F)c1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C23H15F3N4O4S/c24-23(25,26)13-4-2-12(3-5-13)14-10-35-22-18(14)20(32)29-19(30-22)21(33)27-8-11-1-6-16-15(7-11)28-17(31)9-34-16/h1-7,10H,8-9H2,(H,27,33)(H,28,31)(H,29,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.50E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s...


ACS Med Chem Lett 8: 654-659 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00130
BindingDB Entry DOI: 10.7270/Q2MS3W8M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%