Found 101 hits Enz. Inhib. hit(s) with all data for entry = 50027780 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50246599
(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
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(((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
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(((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
Similars
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(((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
Similars
| Article PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(((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
Similars
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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 MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50241252
(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
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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 MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(((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
Similars
| Article PubMed
| 116 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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 MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50246599
(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
Similars
| Article PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| 2.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(((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
Similars
| Article PubMed
| 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50246599
(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
Similars
| Article PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50246599
(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
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50273426
(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
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50241252
(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
Similars
| Article PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50241252
(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
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50273426
(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
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50241252
(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
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50246601
(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
Similars
| Article PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50273426
(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
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50273425
(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
Similars
| Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/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
((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
| Purchase
CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 | |