new BindingDB logo
myBDB logout

PubMed code 19053764

Compile data set for download or QSAR
Found 101 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
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50241250
PNG
(((bBiphenyl-4-sulfonyl)-{[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25N3O7S2/c25-35(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)36(33,34)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11635
PNG
(4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50241249
PNG
(((4-phenoxy-benzenesulfonyl)-{[2-(4sulfamoyl-pheny...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H25N3O8S2/c25-36(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)37(33,34)22-12-8-20(9-13-22)35-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.40n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50241250
PNG
(((bBiphenyl-4-sulfonyl)-{[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25N3O7S2/c25-35(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)36(33,34)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.40n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50241249
PNG
(((4-phenoxy-benzenesulfonyl)-{[2-(4sulfamoyl-pheny...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H25N3O8S2/c25-36(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)37(33,34)22-12-8-20(9-13-22)35-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM11635
PNG
(4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
25n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50241254
PNG
(2-(benzyl-hydroxycarbamoylmethyl-amino)-N-[2-(4-su...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O5S/c20-29(27,28)17-8-6-15(7-9-17)10-11-21-18(24)13-23(14-19(25)22-26)12-16-4-2-1-3-5-16/h1-9,26H,10-14H2,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
26n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11635
PNG
(4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
57n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50241254
PNG
(2-(benzyl-hydroxycarbamoylmethyl-amino)-N-[2-(4-su...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O5S/c20-29(27,28)17-8-6-15(7-9-17)10-11-21-18(24)13-23(14-19(25)22-26)12-16-4-2-1-3-5-16/h1-9,26H,10-14H2,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
63n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
65n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
95n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50241250
PNG
(((bBiphenyl-4-sulfonyl)-{[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25N3O7S2/c25-35(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)36(33,34)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
116n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
250n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
730n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.77E+3n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50241254
PNG
(2-(benzyl-hydroxycarbamoylmethyl-amino)-N-[2-(4-su...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O5S/c20-29(27,28)17-8-6-15(7-9-17)10-11-21-18(24)13-23(14-19(25)22-26)12-16-4-2-1-3-5-16/h1-9,26H,10-14H2,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.34E+3n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.49E+3n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50241249
PNG
(((4-phenoxy-benzenesulfonyl)-{[2-(4sulfamoyl-pheny...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H25N3O8S2/c25-36(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)37(33,34)22-12-8-20(9-13-22)35-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.43E+3n/an/an/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP16


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50273426
PNG
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.330n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50273426
PNG
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50273426
PNG
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.510n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.740n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50273426
PNG
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.770n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP16


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50273426
PNG
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP16


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50273426
PNG
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50273425
PNG
(CHEMBL456774 | N-(4-Biphenylsulfonyl)-N-hydroxycar...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O6S/c1-13(2)18(19(24)20-25)21(12-17(22)23)28(26,27)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50066658
PNG
((R)-N-(1-(hydroxyamino)-2-methylpropyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50066658
PNG
((R)-N-(1-(hydroxyamino)-2-methylpropyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50066658
PNG
((R)-N-(1-(hydroxyamino)-2-methylpropyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP16


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50066658
PNG
((R)-N-(1-(hydroxyamino)-2-methylpropyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP16


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50066658
PNG
((R)-N-(1-(hydroxyamino)-2-methylpropyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50066658
PNG
((R)-N-(1-(hydroxyamino)-2-methylpropyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50273425
PNG
(CHEMBL456774 | N-(4-Biphenylsulfonyl)-N-hydroxycar...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O6S/c1-13(2)18(19(24)20-25)21(12-17(22)23)28(26,27)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50273425
PNG
(CHEMBL456774 | N-(4-Biphenylsulfonyl)-N-hydroxycar...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O6S/c1-13(2)18(19(24)20-25)21(12-17(22)23)28(26,27)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50273424
PNG
(CHEMBL450721 | N-(4-Methoxybenzenesulfonyl)-N-hydr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C14H20N2O7S/c1-9(2)13(14(19)15-20)16(8-12(17)18)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,9,13,20H,8H2,1-3H3,(H,15,19)(H,17,18)/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP16


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of TACE


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50066658
PNG
((R)-N-(1-(hydroxyamino)-2-methylpropyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interstitial collagenase


(Homo sapiens (Human))
BDBM50273426
PNG
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50273424
PNG
(CHEMBL450721 | N-(4-Methoxybenzenesulfonyl)-N-hydr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C14H20N2O7S/c1-9(2)13(14(19)15-20)16(8-12(17)18)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,9,13,20H,8H2,1-3H3,(H,15,19)(H,17,18)/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 143n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50273424
PNG
(CHEMBL450721 | N-(4-Methoxybenzenesulfonyl)-N-hydr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C14H20N2O7S/c1-9(2)13(14(19)15-20)16(8-12(17)18)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,9,13,20H,8H2,1-3H3,(H,15,19)(H,17,18)/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP16


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50246600
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)CC(=O)NO
Show InChI InChI=1S/C11H14N2O7S/c1-20-8-2-4-9(5-3-8)21(18,19)13(7-11(15)16)6-10(14)12-17/h2-5,17H,6-7H2,1H3,(H,12,14)(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 193n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50246600
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)CC(=O)NO
Show InChI InChI=1S/C11H14N2O7S/c1-20-8-2-4-9(5-3-8)21(18,19)13(7-11(15)16)6-10(14)12-17/h2-5,17H,6-7H2,1H3,(H,12,14)(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 213n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50273424
PNG
(CHEMBL450721 | N-(4-Methoxybenzenesulfonyl)-N-hydr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C14H20N2O7S/c1-9(2)13(14(19)15-20)16(8-12(17)18)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,9,13,20H,8H2,1-3H3,(H,15,19)(H,17,18)/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 235n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50273425
PNG
(CHEMBL456774 | N-(4-Biphenylsulfonyl)-N-hydroxycar...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O6S/c1-13(2)18(19(24)20-25)21(12-17(22)23)28(26,27)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 236n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50273425
PNG
(CHEMBL456774 | N-(4-Biphenylsulfonyl)-N-hydroxycar...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O6S/c1-13(2)18(19(24)20-25)21(12-17(22)23)28(26,27)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 306n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50246600
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)CC(=O)NO
Show InChI InChI=1S/C11H14N2O7S/c1-20-8-2-4-9(5-3-8)21(18,19)13(7-11(15)16)6-10(14)12-17/h2-5,17H,6-7H2,1H3,(H,12,14)(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 322n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50273424
PNG
(CHEMBL450721 | N-(4-Methoxybenzenesulfonyl)-N-hydr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C14H20N2O7S/c1-9(2)13(14(19)15-20)16(8-12(17)18)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,9,13,20H,8H2,1-3H3,(H,15,19)(H,17,18)/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 353n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 532n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 542n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50246600
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)CC(=O)NO
Show InChI InChI=1S/C11H14N2O7S/c1-20-8-2-4-9(5-3-8)21(18,19)13(7-11(15)16)6-10(14)12-17/h2-5,17H,6-7H2,1H3,(H,12,14)(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 996n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP16


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50246600
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)CC(=O)NO
Show InChI InChI=1S/C11H14N2O7S/c1-20-8-2-4-9(5-3-8)21(18,19)13(7-11(15)16)6-10(14)12-17/h2-5,17H,6-7H2,1H3,(H,12,14)(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.53E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50246600
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)CC(=O)NO
Show InChI InChI=1S/C11H14N2O7S/c1-20-8-2-4-9(5-3-8)21(18,19)13(7-11(15)16)6-10(14)12-17/h2-5,17H,6-7H2,1H3,(H,12,14)(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.69E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50241249
PNG
(((4-phenoxy-benzenesulfonyl)-{[2-(4sulfamoyl-pheny...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H25N3O8S2/c25-36(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)37(33,34)22-12-8-20(9-13-22)35-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.23E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50273426
PNG
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.29E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of TACE


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50241249
PNG
(((4-phenoxy-benzenesulfonyl)-{[2-(4sulfamoyl-pheny...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H25N3O8S2/c25-36(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)37(33,34)22-12-8-20(9-13-22)35-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.36E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50241250
PNG
(((bBiphenyl-4-sulfonyl)-{[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25N3O7S2/c25-35(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)36(33,34)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.12E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50246600
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)CC(=O)NO
Show InChI InChI=1S/C11H14N2O7S/c1-20-8-2-4-9(5-3-8)21(18,19)13(7-11(15)16)6-10(14)12-17/h2-5,17H,6-7H2,1H3,(H,12,14)(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 6.77E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50241250
PNG
(((bBiphenyl-4-sulfonyl)-{[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25N3O7S2/c25-35(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)36(33,34)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50241249
PNG
(((4-phenoxy-benzenesulfonyl)-{[2-(4sulfamoyl-pheny...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H25N3O8S2/c25-36(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)37(33,34)22-12-8-20(9-13-22)35-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.95E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50241250
PNG
(((bBiphenyl-4-sulfonyl)-{[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25N3O7S2/c25-35(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)36(33,34)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.39E+4n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50241254
PNG
(2-(benzyl-hydroxycarbamoylmethyl-amino)-N-[2-(4-su...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O5S/c20-29(27,28)17-8-6-15(7-9-17)10-11-21-18(24)13-23(14-19(25)22-26)12-16-4-2-1-3-5-16/h1-9,26H,10-14H2,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50241254
PNG
(2-(benzyl-hydroxycarbamoylmethyl-amino)-N-[2-(4-su...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O5S/c20-29(27,28)17-8-6-15(7-9-17)10-11-21-18(24)13-23(14-19(25)22-26)12-16-4-2-1-3-5-16/h1-9,26H,10-14H2,(H,21,24)(H,22,25)(H2,20,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50241254
PNG
(2-(benzyl-hydroxycarbamoylmethyl-amino)-N-[2-(4-su...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O5S/c20-29(27,28)17-8-6-15(7-9-17)10-11-21-18(24)13-23(14-19(25)22-26)12-16-4-2-1-3-5-16/h1-9,26H,10-14H2,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%