Found 114 hits of Enzyme Inhibition Constant Data 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 7
(Homo sapiens (Human)) | BDBM50239278
(CHEMBL4095957)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239281
(CHEMBL4100218)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239275
(CHEMBL4073364)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239283
(CHEMBL4068642)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239282
(CHEMBL4099267)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239277
(CHEMBL4081248)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239282
(CHEMBL4099267)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239277
(CHEMBL4081248)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239275
(CHEMBL4073364)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239280
(CHEMBL4071251)Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23FN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239272
(CHEMBL4098299)Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23ClN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239280
(CHEMBL4071251)Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23FN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239275
(CHEMBL4073364)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | 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
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239283
(CHEMBL4068642)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239278
(CHEMBL4095957)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239281
(CHEMBL4100218)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239283
(CHEMBL4068642)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239282
(CHEMBL4099267)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239278
(CHEMBL4095957)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239281
(CHEMBL4100218)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239277
(CHEMBL4081248)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239278
(CHEMBL4095957)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239273
(CHEMBL4062013)Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23BrN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239275
(CHEMBL4073364)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239280
(CHEMBL4071251)Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23FN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239281
(CHEMBL4100218)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | 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
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | 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
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | 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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239272
(CHEMBL4098299)Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23ClN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | 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
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239283
(CHEMBL4068642)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | 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
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239270
(CHEMBL4075030)Show SMILES CCCOc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O4S/c1-2-16-31-21-10-13-23-20(17-21)14-15-27(24(23)18-6-4-3-5-7-18)25(28)19-8-11-22(12-9-19)32(26,29)30/h3-13,17,24H,2,14-16H2,1H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239280
(CHEMBL4071251)Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23FN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | 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
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239277
(CHEMBL4081248)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239275
(CHEMBL4073364)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | 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
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239277
(CHEMBL4081248)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239280
(CHEMBL4071251)Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23FN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239281
(CHEMBL4100218)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239278
(CHEMBL4095957)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239283
(CHEMBL4068642)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239282
(CHEMBL4099267)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | 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 |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239272
(CHEMBL4098299)Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23ClN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
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 |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | 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
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | 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
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239273
(CHEMBL4062013)Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23BrN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | 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
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239270
(CHEMBL4075030)Show SMILES CCCOc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O4S/c1-2-16-31-21-10-13-23-20(17-21)14-15-27(24(23)18-6-4-3-5-7-18)25(28)19-8-11-22(12-9-19)32(26,29)30/h3-13,17,24H,2,14-16H2,1H3,(H2,26,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239270
(CHEMBL4075030)Show SMILES CCCOc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O4S/c1-2-16-31-21-10-13-23-20(17-21)14-15-27(24(23)18-6-4-3-5-7-18)25(28)19-8-11-22(12-9-19)32(26,29)30/h3-13,17,24H,2,14-16H2,1H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239283
(CHEMBL4068642)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239281
(CHEMBL4100218)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239278
(CHEMBL4095957)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239273
(CHEMBL4062013)Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23BrN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | 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
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239270
(CHEMBL4075030)Show SMILES CCCOc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O4S/c1-2-16-31-21-10-13-23-20(17-21)14-15-27(24(23)18-6-4-3-5-7-18)25(28)19-8-11-22(12-9-19)32(26,29)30/h3-13,17,24H,2,14-16H2,1H3,(H2,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | 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
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239271
(CHEMBL4069601)Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | 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
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239279
(CHEMBL4070634)Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239282
(CHEMBL4099267)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239270
(CHEMBL4075030)Show SMILES CCCOc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O4S/c1-2-16-31-21-10-13-23-20(17-21)14-15-27(24(23)18-6-4-3-5-7-18)25(28)19-8-11-22(12-9-19)32(26,29)30/h3-13,17,24H,2,14-16H2,1H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239272
(CHEMBL4098299)Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23ClN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50239273
(CHEMBL4062013)Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23BrN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239272
(CHEMBL4098299)Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23ClN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 325 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239275
(CHEMBL4073364)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 346 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239280
(CHEMBL4071251)Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23FN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239273
(CHEMBL4062013)Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23BrN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 847 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50239270
(CHEMBL4075030)Show SMILES CCCOc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O4S/c1-2-16-31-21-10-13-23-20(17-21)14-15-27(24(23)18-6-4-3-5-7-18)25(28)19-8-11-22(12-9-19)32(26,29)30/h3-13,17,24H,2,14-16H2,1H3,(H2,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50239272
(CHEMBL4098299)Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23ClN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 933 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239277
(CHEMBL4081248)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239282
(CHEMBL4099267)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50239273
(CHEMBL4062013)Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H23BrN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
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