Found 92 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)) | BDBM50058941
(CHEMBL3326411)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)C1CCCCC1 Show InChI InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24) | 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£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059068
(CHEMBL3326413)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCBr)nn1 Show InChI InChI=1S/C10H7BrF4N4O2S/c11-2-1-4-3-19(18-17-4)9-5(12)7(14)10(22(16,20)21)8(15)6(9)13/h3H,1-2H2,(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059069
(CHEMBL3326414)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCl)nn1 Show InChI InChI=1S/C11H9ClF4N4O2S/c12-3-1-2-5-4-20(19-18-5)10-6(13)8(15)11(23(17,21)22)9(16)7(10)14/h4H,1-3H2,(H2,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059070
(CHEMBL3326415)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCCl)nn1 Show InChI InChI=1S/C12H11ClF4N4O2S/c13-4-2-1-3-6-5-21(20-19-6)11-7(14)9(16)12(24(18,22)23)10(17)8(11)15/h5H,1-4H2,(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50058937
(CHEMBL3326401)Show InChI InChI=1S/C14H18N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50058941
(CHEMBL3326411)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)C1CCCCC1 Show InChI InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24) | 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
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059078
(CHEMBL3326407)Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H19N5O4S/c1-14(2,3)23-13(20)16-8-10-9-19(18-17-10)11-4-6-12(7-5-11)24(15,21)22/h4-7,9H,8H2,1-3H3,(H,16,20)(H2,15,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059080
(CHEMBL3326409)Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C15H10F4N4O2S/c1-7-2-4-8(5-3-7)9-6-23(22-21-9)14-10(16)12(18)15(26(20,24)25)13(19)11(14)17/h2-6H,1H3,(H2,20,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059076
(CHEMBL3326405)Show InChI InChI=1S/C12H15ClN4O2S/c13-8-2-1-3-10-9-17(16-15-10)11-4-6-12(7-5-11)20(14,18)19/h4-7,9H,1-3,8H2,(H2,14,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059075
(CHEMBL3326404)Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(H2,13,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059074
(CHEMBL3326403)Show InChI InChI=1S/C10H11BrN4O2S/c11-6-5-8-7-15(14-13-8)9-1-3-10(4-2-9)18(12,16)17/h1-4,7H,5-6H2,(H2,12,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059072
(CHEMBL3326417)Show InChI InChI=1S/C9H6F4N4O3S/c10-4-6(12)9(21(14,19)20)7(13)5(11)8(4)17-1-3(2-18)15-16-17/h1,18H,2H2,(H2,14,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50058938
(CHEMBL3326419)Show InChI InChI=1S/C9H7F4N5O2S/c10-4-6(12)9(21(15,19)20)7(13)5(11)8(4)18-2-3(1-14)16-17-18/h2H,1,14H2,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM15233
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50058937
(CHEMBL3326401)Show InChI InChI=1S/C14H18N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,19,20) | 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
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059079
(CHEMBL3326408)Show InChI InChI=1S/C9H11N5O2S/c10-5-7-6-14(13-12-7)8-1-3-9(4-2-8)17(11,15)16/h1-4,6H,5,10H2,(H2,11,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50058939
(CHEMBL3326418)Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C14H15F4N5O4S/c1-14(2,3)27-13(24)20-4-6-5-23(22-21-6)11-7(15)9(17)12(28(19,25)26)10(18)8(11)16/h5H,4H2,1-3H3,(H,20,24)(H2,19,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50262063
(4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)Show InChI InChI=1S/C15H14N4O2S/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)13-6-8-14(9-7-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059070
(CHEMBL3326415)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCCl)nn1 Show InChI InChI=1S/C12H11ClF4N4O2S/c13-4-2-1-3-6-5-21(20-19-6)11-7(14)9(16)12(24(18,22)23)10(17)8(11)15/h5H,1-4H2,(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059069
(CHEMBL3326414)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCl)nn1 Show InChI InChI=1S/C11H9ClF4N4O2S/c12-3-1-2-5-4-20(19-18-5)10-6(13)8(15)11(23(17,21)22)9(16)7(10)14/h4H,1-3H2,(H2,17,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059073
(CHEMBL3326402)Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H22N4O2S/c1-2-3-4-5-15-6-8-16(9-7-15)19-14-23(22-21-19)17-10-12-18(13-11-17)26(20,24)25/h6-14H,2-5H2,1H3,(H2,20,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059068
(CHEMBL3326413)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCBr)nn1 Show InChI InChI=1S/C10H7BrF4N4O2S/c11-2-1-4-3-19(18-17-4)9-5(12)7(14)10(22(16,20)21)8(15)6(9)13/h3H,1-2H2,(H2,16,20,21) | PDB
MMDB
NCI pathway
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£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059076
(CHEMBL3326405)Show InChI InChI=1S/C12H15ClN4O2S/c13-8-2-1-3-10-9-17(16-15-10)11-4-6-12(7-5-11)20(14,18)19/h4-7,9H,1-3,8H2,(H2,14,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50058940
(CHEMBL3326410)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C14H8F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h1-6H,(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
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 |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50262062
(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20) | 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£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059075
(CHEMBL3326404)Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(H2,13,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059074
(CHEMBL3326403)Show InChI InChI=1S/C10H11BrN4O2S/c11-6-5-8-7-15(14-13-8)9-1-3-10(4-2-9)18(12,16)17/h1-4,7H,5-6H2,(H2,12,16,17) | 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£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM15233
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50058938
(CHEMBL3326419)Show InChI InChI=1S/C9H7F4N5O2S/c10-4-6(12)9(21(15,19)20)7(13)5(11)8(4)18-2-3(1-14)16-17-18/h2H,1,14H2,(H2,15,19,20) | 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
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059078
(CHEMBL3326407)Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H19N5O4S/c1-14(2,3)23-13(20)16-8-10-9-19(18-17-10)11-4-6-12(7-5-11)24(15,21)22/h4-7,9H,8H2,1-3H3,(H,16,20)(H2,15,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059067
(CHEMBL3326412)Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C19H18F4N4O2S/c1-2-3-4-5-11-6-8-12(9-7-11)13-10-27(26-25-13)18-14(20)16(22)19(30(24,28)29)17(23)15(18)21/h6-10H,2-5H2,1H3,(H2,24,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059079
(CHEMBL3326408)Show InChI InChI=1S/C9H11N5O2S/c10-5-7-6-14(13-12-7)8-1-3-9(4-2-8)17(11,15)16/h1-4,6H,5,10H2,(H2,11,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059073
(CHEMBL3326402)Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H22N4O2S/c1-2-3-4-5-15-6-8-16(9-7-15)19-14-23(22-21-19)17-10-12-18(13-11-17)26(20,24)25/h6-14H,2-5H2,1H3,(H2,20,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059072
(CHEMBL3326417)Show InChI InChI=1S/C9H6F4N4O3S/c10-4-6(12)9(21(14,19)20)7(13)5(11)8(4)17-1-3(2-18)15-16-17/h1,18H,2H2,(H2,14,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50058939
(CHEMBL3326418)Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C14H15F4N5O4S/c1-14(2,3)27-13(24)20-4-6-5-23(22-21-6)11-7(15)9(17)12(28(19,25)26)10(18)8(11)16/h5H,4H2,1-3H3,(H,20,24)(H2,19,25,26) | 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
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059080
(CHEMBL3326409)Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C15H10F4N4O2S/c1-7-2-4-8(5-3-7)9-6-23(22-21-9)14-10(16)12(18)15(26(20,24)25)13(19)11(14)17/h2-6H,1H3,(H2,20,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50262063
(4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)Show InChI InChI=1S/C15H14N4O2S/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)13-6-8-14(9-7-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
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 |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50058940
(CHEMBL3326410)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C14H8F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h1-6H,(H2,19,23,24) | 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
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50262062
(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50058939
(CHEMBL3326418)Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C14H15F4N5O4S/c1-14(2,3)27-13(24)20-4-6-5-23(22-21-6)11-7(15)9(17)12(28(19,25)26)10(18)8(11)16/h5H,4H2,1-3H3,(H,20,24)(H2,19,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50058940
(CHEMBL3326410)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C14H8F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h1-6H,(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059078
(CHEMBL3326407)Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H19N5O4S/c1-14(2,3)23-13(20)16-8-10-9-19(18-17-10)11-4-6-12(7-5-11)24(15,21)22/h4-7,9H,8H2,1-3H3,(H,16,20)(H2,15,21,22) | 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£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059067
(CHEMBL3326412)Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C19H18F4N4O2S/c1-2-3-4-5-11-6-8-12(9-7-11)13-10-27(26-25-13)18-14(20)16(22)19(30(24,28)29)17(23)15(18)21/h6-10H,2-5H2,1H3,(H2,24,28,29) | 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£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50058941
(CHEMBL3326411)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)C1CCCCC1 Show InChI InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059080
(CHEMBL3326409)Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C15H10F4N4O2S/c1-7-2-4-8(5-3-7)9-6-23(22-21-9)14-10(16)12(18)15(26(20,24)25)13(19)11(14)17/h2-6H,1H3,(H2,20,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50058940
(CHEMBL3326410)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C14H8F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h1-6H,(H2,19,23,24) | 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
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50058941
(CHEMBL3326411)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)C1CCCCC1 Show InChI InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24) | 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
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50262062
(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50058939
(CHEMBL3326418)Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C14H15F4N5O4S/c1-14(2,3)27-13(24)20-4-6-5-23(22-21-6)11-7(15)9(17)12(28(19,25)26)10(18)8(11)16/h5H,4H2,1-3H3,(H,20,24)(H2,19,25,26) | 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
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059070
(CHEMBL3326415)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCCl)nn1 Show InChI InChI=1S/C12H11ClF4N4O2S/c13-4-2-1-3-6-5-21(20-19-6)11-7(14)9(16)12(24(18,22)23)10(17)8(11)15/h5H,1-4H2,(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50058937
(CHEMBL3326401)Show InChI InChI=1S/C14H18N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059071
(CHEMBL3326416)Show SMILES COC(=O)c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C10H6F4N4O4S/c1-22-10(19)3-2-18(17-16-3)8-4(11)6(13)9(23(15,20)21)7(14)5(8)12/h2H,1H3,(H2,15,20,21) | 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
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059069
(CHEMBL3326414)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCl)nn1 Show InChI InChI=1S/C11H9ClF4N4O2S/c12-3-1-2-5-4-20(19-18-5)10-6(13)8(15)11(23(17,21)22)9(16)7(10)14/h4H,1-3H2,(H2,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059071
(CHEMBL3326416)Show SMILES COC(=O)c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C10H6F4N4O4S/c1-22-10(19)3-2-18(17-16-3)8-4(11)6(13)9(23(15,20)21)7(14)5(8)12/h2H,1H3,(H2,15,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50059077
(CHEMBL3326406)Show InChI InChI=1S/C10H10N4O4S/c1-18-10(15)9-6-14(13-12-9)7-2-4-8(5-3-7)19(11,16)17/h2-6H,1H3,(H2,11,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059076
(CHEMBL3326405)Show InChI InChI=1S/C12H15ClN4O2S/c13-8-2-1-3-10-9-17(16-15-10)11-4-6-12(7-5-11)20(14,18)19/h4-7,9H,1-3,8H2,(H2,14,18,19) | 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 |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059075
(CHEMBL3326404)Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(H2,13,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059068
(CHEMBL3326413)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCBr)nn1 Show InChI InChI=1S/C10H7BrF4N4O2S/c11-2-1-4-3-19(18-17-4)9-5(12)7(14)10(22(16,20)21)8(15)6(9)13/h3H,1-2H2,(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059071
(CHEMBL3326416)Show SMILES COC(=O)c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C10H6F4N4O4S/c1-22-10(19)3-2-18(17-16-3)8-4(11)6(13)9(23(15,20)21)7(14)5(8)12/h2H,1H3,(H2,15,20,21) | 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
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059072
(CHEMBL3326417)Show InChI InChI=1S/C9H6F4N4O3S/c10-4-6(12)9(21(14,19)20)7(13)5(11)8(4)17-1-3(2-18)15-16-17/h1,18H,2H2,(H2,14,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50059077
(CHEMBL3326406)Show InChI InChI=1S/C10H10N4O4S/c1-18-10(15)9-6-14(13-12-9)7-2-4-8(5-3-7)19(11,16)17/h2-6H,1H3,(H2,11,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059074
(CHEMBL3326403)Show InChI InChI=1S/C10H11BrN4O2S/c11-6-5-8-7-15(14-13-8)9-1-3-10(4-2-9)18(12,16)17/h1-4,7H,5-6H2,(H2,12,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50058938
(CHEMBL3326419)Show InChI InChI=1S/C9H7F4N5O2S/c10-4-6(12)9(21(15,19)20)7(13)5(11)8(4)18-2-3(1-14)16-17-18/h2H,1,14H2,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059080
(CHEMBL3326409)Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C15H10F4N4O2S/c1-7-2-4-8(5-3-7)9-6-23(22-21-9)14-10(16)12(18)15(26(20,24)25)13(19)11(14)17/h2-6H,1H3,(H2,20,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059079
(CHEMBL3326408)Show InChI InChI=1S/C9H11N5O2S/c10-5-7-6-14(13-12-7)8-1-3-9(4-2-8)17(11,15)16/h1-4,6H,5,10H2,(H2,11,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50262063
(4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)Show InChI InChI=1S/C15H14N4O2S/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)13-6-8-14(9-7-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 176 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM15233
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059072
(CHEMBL3326417)Show InChI InChI=1S/C9H6F4N4O3S/c10-4-6(12)9(21(14,19)20)7(13)5(11)8(4)17-1-3(2-18)15-16-17/h1,18H,2H2,(H2,14,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 258 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059077
(CHEMBL3326406)Show InChI InChI=1S/C10H10N4O4S/c1-18-10(15)9-6-14(13-12-9)7-2-4-8(5-3-7)19(11,16)17/h2-6H,1H3,(H2,11,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 329 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50058938
(CHEMBL3326419)Show InChI InChI=1S/C9H7F4N5O2S/c10-4-6(12)9(21(15,19)20)7(13)5(11)8(4)18-2-3(1-14)16-17-18/h2H,1,14H2,(H2,15,19,20) | 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
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50058937
(CHEMBL3326401)Show InChI InChI=1S/C14H18N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,19,20) | 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
| 357 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50262063
(4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)Show InChI InChI=1S/C15H14N4O2S/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)13-6-8-14(9-7-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 368 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50262062
(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 392 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059078
(CHEMBL3326407)Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H19N5O4S/c1-14(2,3)23-13(20)16-8-10-9-19(18-17-10)11-4-6-12(7-5-11)24(15,21)22/h4-7,9H,8H2,1-3H3,(H,16,20)(H2,15,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 413 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059068
(CHEMBL3326413)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCBr)nn1 Show InChI InChI=1S/C10H7BrF4N4O2S/c11-2-1-4-3-19(18-17-4)9-5(12)7(14)10(22(16,20)21)8(15)6(9)13/h3H,1-2H2,(H2,16,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 416 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059071
(CHEMBL3326416)Show SMILES COC(=O)c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C10H6F4N4O4S/c1-22-10(19)3-2-18(17-16-3)8-4(11)6(13)9(23(15,20)21)7(14)5(8)12/h2H,1H3,(H2,15,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059067
(CHEMBL3326412)Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C19H18F4N4O2S/c1-2-3-4-5-11-6-8-12(9-7-11)13-10-27(26-25-13)18-14(20)16(22)19(30(24,28)29)17(23)15(18)21/h6-10H,2-5H2,1H3,(H2,24,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 648 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059069
(CHEMBL3326414)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCl)nn1 Show InChI InChI=1S/C11H9ClF4N4O2S/c12-3-1-2-5-4-20(19-18-5)10-6(13)8(15)11(23(17,21)22)9(16)7(10)14/h4H,1-3H2,(H2,17,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 652 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50059073
(CHEMBL3326402)Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H22N4O2S/c1-2-3-4-5-15-6-8-16(9-7-15)19-14-23(22-21-19)17-10-12-18(13-11-17)26(20,24)25/h6-14H,2-5H2,1H3,(H2,20,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 755 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059079
(CHEMBL3326408)Show InChI InChI=1S/C9H11N5O2S/c10-5-7-6-14(13-12-7)8-1-3-9(4-2-8)17(11,15)16/h1-4,6H,5,10H2,(H2,11,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 765 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059070
(CHEMBL3326415)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCCl)nn1 Show InChI InChI=1S/C12H11ClF4N4O2S/c13-4-2-1-3-6-5-21(20-19-6)11-7(14)9(16)12(24(18,22)23)10(17)8(11)15/h5H,1-4H2,(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 835 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM15233
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 873 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059075
(CHEMBL3326404)Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(H2,13,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059074
(CHEMBL3326403)Show InChI InChI=1S/C10H11BrN4O2S/c11-6-5-8-7-15(14-13-8)9-1-3-10(4-2-9)18(12,16)17/h1-4,7H,5-6H2,(H2,12,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059076
(CHEMBL3326405)Show InChI InChI=1S/C12H15ClN4O2S/c13-8-2-1-3-10-9-17(16-15-10)11-4-6-12(7-5-11)20(14,18)19/h4-7,9H,1-3,8H2,(H2,14,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059067
(CHEMBL3326412)Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C19H18F4N4O2S/c1-2-3-4-5-11-6-8-12(9-7-11)13-10-27(26-25-13)18-14(20)16(22)19(30(24,28)29)17(23)15(18)21/h6-10H,2-5H2,1H3,(H2,24,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059077
(CHEMBL3326406)Show InChI InChI=1S/C10H10N4O4S/c1-18-10(15)9-6-14(13-12-9)7-2-4-8(5-3-7)19(11,16)17/h2-6H,1H3,(H2,11,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50059073
(CHEMBL3326402)Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H22N4O2S/c1-2-3-4-5-15-6-8-16(9-7-15)19-14-23(22-21-19)17-10-12-18(13-11-17)26(20,24)25/h6-14H,2-5H2,1H3,(H2,20,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay |
ACS Med Chem Lett 5: 927-30 (2014)
Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68 |
More data for this
Ligand-Target Pair | |
Search and Browse
