BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 812 hits with Last Name = 'kondo' and Initial = 'h'   
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))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
0.0600n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-9


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
0.0800n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50143729
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
0.0970n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50109621
PNG
(CHEMBL425316 | [4-(4-Amino-phenoxy)-phenyl]-(3-hyd...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C24H26N3O5P/c1-2-31-33(30,22-13-11-21(12-14-22)32-20-9-7-19(25)8-10-20)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-29/h3-14,23,29H,2,15-16,25H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
0.100n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50109626
PNG
(Biphenyl-4-yl-(3-hydroxycarbamoyl-3,4-dihydro-1H-i...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H25N2O4P/c1-2-30-31(29,22-14-12-19(13-15-22)18-8-4-3-5-9-18)26-17-21-11-7-6-10-20(21)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
0.310n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50143729
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
0.350n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor necrosis factor-alpha converting enzyme


Bioorg Med Chem Lett 13: 2741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10DK
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme (TACE)


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50141575
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CO[C@H]1[C@H](O)[C@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1
Show InChI InChI=1S/C17H22N2O8S/c1-3-4-9-27-11-5-7-12(8-6-11)28(24,25)19-10-13(20)15(21)16(26-2)14(19)17(22)18-23/h5-8,13-16,20-21,23H,9-10H2,1-2H3,(H,18,22)/t13-,14-,15-,16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.430n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50109621
PNG
(CHEMBL425316 | [4-(4-Amino-phenoxy)-phenyl]-(3-hyd...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C24H26N3O5P/c1-2-31-33(30,22-13-11-21(12-14-22)32-20-9-7-19(25)8-10-20)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-29/h3-14,23,29H,2,15-16,25H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
0.510n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
0.510n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
0.530n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141577
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.530n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human tumor necrosis factor alpha converting enzyme


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141577
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.530n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141576
PNG
((3aR,6R,7R,7aS)-5-(4-But-2-ynyloxy-benzenesulfonyl...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@H]2OC(C)(C)O[C@H]2[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H24N2O8S/c1-4-5-10-27-12-6-8-13(9-7-12)30(25,26)21-11-14-17(29-19(2,3)28-14)16(22)15(21)18(23)20-24/h6-9,14-17,22,24H,10-11H2,1-3H3,(H,20,23)/t14-,15-,16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.570n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50109625
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C23H24N3O5P/c1-2-30-32(29,21-9-7-19(8-10-21)31-20-11-13-24-14-12-20)26-16-18-6-4-3-5-17(18)15-22(26)23(27)25-28/h3-14,22,28H,2,15-16H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
0.600n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141574
PNG
((3aR,6R,7R,7aR)-5-(4-But-2-ynyloxy-benzenesulfonyl...)
Show SMILES CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1
Show InChI InChI=1S/C20H26N2O8S/c1-5-6-11-28-13-7-9-14(10-8-13)31(25,26)22-12-15-17(30-20(2,3)29-15)18(27-4)16(22)19(23)21-24/h7-10,15-18,24H,11-12H2,1-4H3,(H,21,23)/t15-,16-,17-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.840n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131382
PNG
((2R,3R,4R,5S)-1-(4-Cyclohexyloxy-benzenesulfonyl)-...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OC2CCCCC2)cc1
Show InChI InChI=1S/C18H26N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h6-9,11,14-17,21-23,25H,1-5,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
0.930n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-9


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50109629
PNG
((4-Fluoro-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN2O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
0.970n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PubMed
1.10n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of Recombinant human matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 2741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10DK
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PubMed
1.10n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50109633
PNG
((3-Hydroxycarbamoyl-1,3,4,9-tetrahydro-beta-carbol...)
Show SMILES CCOP(=O)(N1Cc2[nH]c3ccccc3c2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,20,22,26H,3,12-13H2,1-2H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.13n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131381
PNG
((2R,3R,4R,5S)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16+,17+,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.60n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme (TACE)


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131386
PNG
((2R,3S,4R,5S)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10+,11+,12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
1.70n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human tumor necrosis factor alpha converting enzyme


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131382
PNG
((2R,3R,4R,5S)-1-(4-Cyclohexyloxy-benzenesulfonyl)-...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OC2CCCCC2)cc1
Show InChI InChI=1S/C18H26N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h6-9,11,14-17,21-23,25H,1-5,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.80n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.81n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141575
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CO[C@H]1[C@H](O)[C@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1
Show InChI InChI=1S/C17H22N2O8S/c1-3-4-9-27-11-5-7-12(8-6-11)28(24,25)19-10-13(20)15(21)16(26-2)14(19)17(22)18-23/h5-8,13-16,20-21,23H,9-10H2,1-2H3,(H,18,22)/t13-,14-,15-,16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141578
PNG
((3aR,4R,7R,7aR)-5-(4-But-2-ynyloxy-benzenesulfonyl...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@H]2OC(C)(C)O[C@@H]2[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H24N2O8S/c1-4-5-10-27-12-6-8-13(9-7-12)30(25,26)21-11-14(22)16-17(15(21)18(23)20-24)29-19(2,3)28-16/h6-9,14-17,22,24H,10-11H2,1-3H3,(H,20,23)/t14-,15-,16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50143731
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10-,11-,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50143731
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10-,11-,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50109633
PNG
((3-Hydroxycarbamoyl-1,3,4,9-tetrahydro-beta-carbol...)
Show SMILES CCOP(=O)(N1Cc2[nH]c3ccccc3c2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,20,22,26H,3,12-13H2,1-2H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.02n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50109630
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OC)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C18H21N2O5P/c1-24-15-7-9-16(10-8-15)26(23,25-2)20-12-14-6-4-3-5-13(14)11-17(20)18(21)19-22/h3-10,17,22H,11-12H2,1-2H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2.03n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50109633
PNG
((3-Hydroxycarbamoyl-1,3,4,9-tetrahydro-beta-carbol...)
Show SMILES CCOP(=O)(N1Cc2[nH]c3ccccc3c2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,20,22,26H,3,12-13H2,1-2H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.04n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 930-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50109633
PNG
((3-Hydroxycarbamoyl-1,3,4,9-tetrahydro-beta-carbol...)
Show SMILES CCOP(=O)(N1Cc2[nH]c3ccccc3c2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,20,22,26H,3,12-13H2,1-2H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human tumor necrosis factor alpha converting enzyme


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
2.30n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50109622
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCC1CCCCC1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H31N2O5P/c1-30-21-11-13-22(14-12-21)32(29,31-17-18-7-3-2-4-8-18)26-16-20-10-6-5-9-19(20)15-23(26)24(27)25-28/h5-6,9-14,18,23,28H,2-4,7-8,15-17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2.43n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131381
PNG
((2R,3R,4R,5S)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16+,17+,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2.60n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50109630
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OC)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C18H21N2O5P/c1-24-15-7-9-16(10-8-15)26(23,25-2)20-12-14-6-4-3-5-13(14)11-17(20)18(21)19-22/h3-10,17,22H,11-12H2,1-2H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2.95n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50109614
PNG
(CHEMBL353536 | [4-(2-Ethoxy-ethoxy)-phenyl]-(3-hyd...)
Show SMILES CCOCCOc1ccc(cc1)P(=O)(OCC)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2.98n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50109631
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccn1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H26N3O5P/c1-31-21-9-11-22(12-10-21)33(30,32-15-13-20-8-4-5-14-25-20)27-17-19-7-3-2-6-18(19)16-23(27)24(28)26-29/h2-12,14,23,29H,13,15-17H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
3.14n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
3.30n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3 (MMP-3)


J Med Chem 45: 930-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
3.30n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50141577
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 812 total )  |  Next  |  Last  >>
Jump to: