BindingDB logo
myBDB logout

PubMed code 10406637

Compile data set for download or QSAR
Found 20 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))		BDBM50078668
PNG
(3-(4-Phenylsulfanyl-benzenesulfonyl)-cyclohexaneth...)
Show SMILES SC1CCCC(C1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C18H20O2S3/c19-23(20,18-8-4-5-14(21)13-18)17-11-9-16(10-12-17)22-15-6-2-1-3-7-15/h1-3,6-7,9-12,14,18,21H,4-5,8,13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-13 (hMMP-13)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50076589
PNG
(3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol | CH...)
Show SMILES SCCCS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H16O3S2/c16-20(17,12-4-11-19)15-9-7-14(8-10-15)18-13-5-2-1-3-6-13/h1-3,5-10,19H,4,11-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-13 (hMMP-13)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50078667
PNG
(3-(4-Phenoxy-benzenesulfonyl)-cyclohexanethiol | C...)
Show SMILES SC1CCCC(C1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20O3S2/c19-23(20,18-8-4-7-16(22)13-18)17-11-9-15(10-12-17)21-14-5-2-1-3-6-14/h1-3,5-6,9-12,16,18,22H,4,7-8,13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-13 (hMMP-13)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50076593
PNG
(3-(4-Phenylsulfanyl-benzenesulfonyl)-propane-1-thi...)
Show SMILES SCCCS(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C15H16O2S3/c16-20(17,12-4-11-18)15-9-7-14(8-10-15)19-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
PubMed
n/an/a 2n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-13 (hMMP-13)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50076589
PNG
(3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol | CH...)
Show SMILES SCCCS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H16O3S2/c16-20(17,12-4-11-19)15-9-7-14(8-10-15)18-13-5-2-1-3-6-13/h1-3,5-10,19H,4,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-8 (hMMP-8)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50078667
PNG
(3-(4-Phenoxy-benzenesulfonyl)-cyclohexanethiol | C...)
Show SMILES SC1CCCC(C1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20O3S2/c19-23(20,18-8-4-7-16(22)13-18)17-11-9-15(10-12-17)21-14-5-2-1-3-6-14/h1-3,5-6,9-12,16,18,22H,4,7-8,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 8n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-8 (hMMP-8)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50078669
PNG
(3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol | C...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1CCCC(S)C1
Show InChI InChI=1S/C13H18O3S2/c1-16-10-5-7-12(8-6-10)18(14,15)13-4-2-3-11(17)9-13/h5-8,11,13,17H,2-4,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 22n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-13 (hMMP-13)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50076593
PNG
(3-(4-Phenylsulfanyl-benzenesulfonyl)-propane-1-thi...)
Show SMILES SCCCS(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C15H16O2S3/c16-20(17,12-4-11-18)15-9-7-14(8-10-15)19-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
PubMed
n/an/a 36n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-8 (hMMP-8)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50076592
PNG
(3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol | CH...)
Show SMILES COc1ccc(cc1)S(=O)(=O)CCCS
Show InChI InChI=1S/C10H14O3S2/c1-13-9-3-5-10(6-4-9)15(11,12)8-2-7-14/h3-6,14H,2,7-8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 50n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-13 (hMMP-13)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50078668
PNG
(3-(4-Phenylsulfanyl-benzenesulfonyl)-cyclohexaneth...)
Show SMILES SC1CCCC(C1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C18H20O2S3/c19-23(20,18-8-4-5-14(21)13-18)17-11-9-16(10-12-17)22-15-6-2-1-3-7-15/h1-3,6-7,9-12,14,18,21H,4-5,8,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
PubMed
n/an/a 50n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-8 (hMMP-8)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50078666
PNG
(3-(4-Methoxy-benzenesulfonyl)-cyclopentanethiol | ...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1CCC(S)C1
Show InChI InChI=1S/C12H16O3S2/c1-15-9-2-5-11(6-3-9)17(13,14)12-7-4-10(16)8-12/h2-3,5-6,10,12,16H,4,7-8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 500n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-13 (hMMP-13)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50078669
PNG
(3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol | C...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1CCCC(S)C1
Show InChI InChI=1S/C13H18O3S2/c1-16-10-5-7-12(8-6-10)18(14,15)13-4-2-3-11(17)9-13/h5-8,11,13,17H,2-4,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 585n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-8 (hMMP-8)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50078669
PNG
(3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol | C...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1CCCC(S)C1
Show InChI InChI=1S/C13H18O3S2/c1-16-10-5-7-12(8-6-10)18(14,15)13-4-2-3-11(17)9-13/h5-8,11,13,17H,2-4,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-1 (hMMP-1)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50076592
PNG
(3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol | CH...)
Show SMILES COc1ccc(cc1)S(=O)(=O)CCCS
Show InChI InChI=1S/C10H14O3S2/c1-13-9-3-5-10(6-4-9)15(11,12)8-2-7-14/h3-6,14H,2,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-8 (hMMP-8)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50076589
PNG
(3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol | CH...)
Show SMILES SCCCS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H16O3S2/c16-20(17,12-4-11-19)15-9-7-14(8-10-15)18-13-5-2-1-3-6-13/h1-3,5-10,19H,4,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-1 (hMMP-1)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50078667
PNG
(3-(4-Phenoxy-benzenesulfonyl)-cyclohexanethiol | C...)
Show SMILES SC1CCCC(C1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20O3S2/c19-23(20,18-8-4-7-16(22)13-18)17-11-9-15(10-12-17)21-14-5-2-1-3-6-14/h1-3,5-6,9-12,16,18,22H,4,7-8,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-1 (hMMP-1)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50078666
PNG
(3-(4-Methoxy-benzenesulfonyl)-cyclopentanethiol | ...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1CCC(S)C1
Show InChI InChI=1S/C12H16O3S2/c1-15-9-2-5-11(6-3-9)17(13,14)12-7-4-10(16)8-12/h2-3,5-6,10,12,16H,4,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-1 (hMMP-1)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50076593
PNG
(3-(4-Phenylsulfanyl-benzenesulfonyl)-propane-1-thi...)
Show SMILES SCCCS(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C15H16O2S3/c16-20(17,12-4-11-18)15-9-7-14(8-10-15)19-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-1 (hMMP-1)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50076592
PNG
(3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol | CH...)
Show SMILES COc1ccc(cc1)S(=O)(=O)CCCS
Show InChI InChI=1S/C10H14O3S2/c1-13-9-3-5-10(6-4-9)15(11,12)8-2-7-14/h3-6,14H,2,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-1 (hMMP-1)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50078668
PNG
(3-(4-Phenylsulfanyl-benzenesulfonyl)-cyclohexaneth...)
Show SMILES SC1CCCC(C1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C18H20O2S3/c19-23(20,18-8-4-5-14(21)13-18)17-11-9-16(10-12-17)22-15-6-2-1-3-7-15/h1-3,6-7,9-12,14,18,21H,4-5,8,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloproteinase-1 (hMMP-1)

Bioorg Med Chem Lett 9: 1757-60 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FVN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%