Found 56 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 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092544
(CHEMBL3586219)Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)17-7-5-15(6-8-17)18(22)20-16-9-11-19-12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50051108
(CHEMBL3310916)Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)16-10-8-15(9-11-16)18(22)20-17-7-5-6-12-19-17/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092603
(CHEMBL3586217)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H26N2O3S/c1-3-14-22(15-4-2)26(24,25)19-12-10-18(11-13-19)20(23)21-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092595
(CHEMBL3586220)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C19H23ClN2O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23) | 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
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092595
(CHEMBL3586220)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C19H23ClN2O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092604
(CHEMBL3586218)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C Show InChI InChI=1S/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)18-12-10-17(11-13-18)20(23)21-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092601
(CHEMBL3586215)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092603
(CHEMBL3586217)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H26N2O3S/c1-3-14-22(15-4-2)26(24,25)19-12-10-18(11-13-19)20(23)21-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092604
(CHEMBL3586218)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C Show InChI InChI=1S/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)18-12-10-17(11-13-18)20(23)21-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092602
(CHEMBL3586216)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC)CC Show InChI InChI=1S/C19H33N3O3S/c1-5-14-22(15-6-2)26(24,25)18-11-9-17(10-12-18)19(23)20-13-16-21(7-3)8-4/h9-12H,5-8,13-16H2,1-4H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092597
(CHEMBL3586211)Show InChI InChI=1S/C15H24N2O3S/c1-4-11-17(12-5-2)21(19,20)14-9-7-13(8-10-14)15(18)16-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092598
(CHEMBL3586212)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCC(C)C1 Show InChI InChI=1S/C20H32N2O3S/c1-4-13-22(14-5-2)26(24,25)19-11-9-17(10-12-19)20(23)21-18-8-6-7-16(3)15-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50051108
(CHEMBL3310916)Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)16-10-8-15(9-11-16)18(22)20-17-7-5-6-12-19-17/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092596
(CHEMBL3586221)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)18-11-5-15(6-12-18)19(23)20-16-7-9-17(10-8-16)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 206 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092600
(CHEMBL3586214)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C20H33N3O4S/c1-3-11-23(12-4-2)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-14-16-27-17-15-22/h6-9H,3-5,10-17H2,1-2H3,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 213 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092596
(CHEMBL3586221)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)18-11-5-15(6-12-18)19(23)20-16-7-9-17(10-8-16)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092599
(CHEMBL3586213)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCC(C)CC1 |(5.07,3.24,;4,3.86,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.4,;,3.08,;-1.07,3.7,;-0,4.31,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;-1.06,-3.7,;1.34,-3.85,;1.34,-5.39,;2.68,-6.16,;2.68,-7.7,;1.34,-8.47,;1.34,-9.7,;.01,-7.7,;.01,-6.16,)| Show InChI InChI=1S/C20H32N2O3S/c1-4-14-22(15-5-2)26(24,25)19-12-8-17(9-13-19)20(23)21-18-10-6-16(3)7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 256 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092602
(CHEMBL3586216)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC)CC Show InChI InChI=1S/C19H33N3O3S/c1-5-14-22(15-6-2)26(24,25)18-11-9-17(10-12-18)19(23)20-13-16-21(7-3)8-4/h9-12H,5-8,13-16H2,1-4H3,(H,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50206509
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092600
(CHEMBL3586214)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C20H33N3O4S/c1-3-11-23(12-4-2)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-14-16-27-17-15-22/h6-9H,3-5,10-17H2,1-2H3,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 419 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50206509
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 431 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092598
(CHEMBL3586212)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCC(C)C1 Show InChI InChI=1S/C20H32N2O3S/c1-4-13-22(14-5-2)26(24,25)19-11-9-17(10-12-19)20(23)21-18-8-6-7-16(3)15-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 798 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092597
(CHEMBL3586211)Show InChI InChI=1S/C15H24N2O3S/c1-4-11-17(12-5-2)21(19,20)14-9-7-13(8-10-14)15(18)16-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 965 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50206509
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092601
(CHEMBL3586215)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092599
(CHEMBL3586213)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCC(C)CC1 |(5.07,3.24,;4,3.86,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.4,;,3.08,;-1.07,3.7,;-0,4.31,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;-1.06,-3.7,;1.34,-3.85,;1.34,-5.39,;2.68,-6.16,;2.68,-7.7,;1.34,-8.47,;1.34,-9.7,;.01,-7.7,;.01,-6.16,)| Show InChI InChI=1S/C20H32N2O3S/c1-4-14-22(15-5-2)26(24,25)19-12-8-17(9-13-19)20(23)21-18-10-6-16(3)7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092544
(CHEMBL3586219)Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)17-7-5-15(6-8-17)18(22)20-16-9-11-19-12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092604
(CHEMBL3586218)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C Show InChI InChI=1S/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)18-12-10-17(11-13-18)20(23)21-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092603
(CHEMBL3586217)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H26N2O3S/c1-3-14-22(15-4-2)26(24,25)19-12-10-18(11-13-19)20(23)21-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092600
(CHEMBL3586214)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C20H33N3O4S/c1-3-11-23(12-4-2)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-14-16-27-17-15-22/h6-9H,3-5,10-17H2,1-2H3,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092544
(CHEMBL3586219)Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)17-7-5-15(6-8-17)18(22)20-16-9-11-19-12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092599
(CHEMBL3586213)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCC(C)CC1 |(5.07,3.24,;4,3.86,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.4,;,3.08,;-1.07,3.7,;-0,4.31,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;-1.06,-3.7,;1.34,-3.85,;1.34,-5.39,;2.68,-6.16,;2.68,-7.7,;1.34,-8.47,;1.34,-9.7,;.01,-7.7,;.01,-6.16,)| Show InChI InChI=1S/C20H32N2O3S/c1-4-14-22(15-5-2)26(24,25)19-12-8-17(9-13-19)20(23)21-18-10-6-16(3)7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092596
(CHEMBL3586221)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)18-11-5-15(6-12-18)19(23)20-16-7-9-17(10-8-16)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092601
(CHEMBL3586215)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092603
(CHEMBL3586217)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H26N2O3S/c1-3-14-22(15-4-2)26(24,25)19-12-10-18(11-13-19)20(23)21-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| Purchase
CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092604
(CHEMBL3586218)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C Show InChI InChI=1S/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)18-12-10-17(11-13-18)20(23)21-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092602
(CHEMBL3586216)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC)CC Show InChI InChI=1S/C19H33N3O3S/c1-5-14-22(15-6-2)26(24,25)18-11-9-17(10-12-18)19(23)20-13-16-21(7-3)8-4/h9-12H,5-8,13-16H2,1-4H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092596
(CHEMBL3586221)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)18-11-5-15(6-12-18)19(23)20-16-7-9-17(10-8-16)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092595
(CHEMBL3586220)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C19H23ClN2O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23) | 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
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092602
(CHEMBL3586216)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC)CC Show InChI InChI=1S/C19H33N3O3S/c1-5-14-22(15-6-2)26(24,25)18-11-9-17(10-12-18)19(23)20-13-16-21(7-3)8-4/h9-12H,5-8,13-16H2,1-4H3,(H,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092595
(CHEMBL3586220)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C19H23ClN2O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092600
(CHEMBL3586214)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C20H33N3O4S/c1-3-11-23(12-4-2)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-14-16-27-17-15-22/h6-9H,3-5,10-17H2,1-2H3,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50051108
(CHEMBL3310916)Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)16-10-8-15(9-11-16)18(22)20-17-7-5-6-12-19-17/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092599
(CHEMBL3586213)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCC(C)CC1 |(5.07,3.24,;4,3.86,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.4,;,3.08,;-1.07,3.7,;-0,4.31,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;-1.06,-3.7,;1.34,-3.85,;1.34,-5.39,;2.68,-6.16,;2.68,-7.7,;1.34,-8.47,;1.34,-9.7,;.01,-7.7,;.01,-6.16,)| Show InChI InChI=1S/C20H32N2O3S/c1-4-14-22(15-5-2)26(24,25)19-12-8-17(9-13-19)20(23)21-18-10-6-16(3)7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092598
(CHEMBL3586212)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCC(C)C1 Show InChI InChI=1S/C20H32N2O3S/c1-4-13-22(14-5-2)26(24,25)19-11-9-17(10-12-19)20(23)21-18-8-6-7-16(3)15-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092544
(CHEMBL3586219)Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)17-7-5-15(6-8-17)18(22)20-16-9-11-19-12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092597
(CHEMBL3586211)Show InChI InChI=1S/C15H24N2O3S/c1-4-11-17(12-5-2)21(19,20)14-9-7-13(8-10-14)15(18)16-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18) | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092601
(CHEMBL3586215)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092597
(CHEMBL3586211)Show InChI InChI=1S/C15H24N2O3S/c1-4-11-17(12-5-2)21(19,20)14-9-7-13(8-10-14)15(18)16-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18) | PDB
MMDB
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CHEMBL
PC cid
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| Article
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50051108
(CHEMBL3310916)Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)16-10-8-15(9-11-16)18(22)20-17-7-5-6-12-19-17/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22) | PDB
MMDB
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CHEMBL
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| Article
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092598
(CHEMBL3586212)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCC(C)C1 Show InChI InChI=1S/C20H32N2O3S/c1-4-13-22(14-5-2)26(24,25)19-11-9-17(10-12-19)20(23)21-18-8-6-7-16(3)15-18/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50206509
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) | PDB
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NCI pathway
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KEGG
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PC sid
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this
Ligand-Target Pair | |
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