Found 340 hits with Last Name = 'zalubovskis' and Initial = 'r' 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 2
(Homo sapiens (Human)) | BDBM50492876
(CHEMBL2414076)Show SMILES NS(=O)(=O)c1ccc(s1)-c1cn(nn1)-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C14H8F3N5O2S2/c15-14(16,17)10-5-9(2-1-8(10)6-18)22-7-11(20-21-22)12-3-4-13(25-12)26(19,23)24/h1-5,7H,(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492884
(CHEMBL2414068)Show SMILES NS(=O)(=O)c1ccc(s1)-c1cn(nn1)-c1cccc2ccccc12 Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)16-9-8-15(23-16)13-10-20(19-18-13)14-7-3-5-11-4-1-2-6-12(11)14/h1-10H,(H2,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492882
(CHEMBL2414075)Show SMILES CS(=O)(=O)c1ccc(c(F)c1)-n1cc(nn1)-c1ccc(s1)S(N)(=O)=O Show InChI InChI=1S/C13H11FN4O4S3/c1-24(19,20)8-2-3-11(9(14)6-8)18-7-10(16-17-18)12-4-5-13(23-12)25(15,21)22/h2-7H,1H3,(H2,15,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492870
(CHEMBL2414073)Show SMILES COc1ccc(cc1Cl)-n1cc(nn1)-c1ccc(s1)S(N)(=O)=O Show InChI InChI=1S/C13H11ClN4O3S2/c1-21-11-3-2-8(6-9(11)14)18-7-10(16-17-18)12-4-5-13(22-12)23(15,19)20/h2-7H,1H3,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492872
(CHEMBL2413089)Show SMILES NS(=O)(=O)c1ccc(s1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4O2S2/c14-13(15,16)8-1-3-9(4-2-8)20-7-10(18-19-20)11-5-6-12(23-11)24(17,21)22/h1-7H,(H2,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492877
(CHEMBL2414074)Show InChI InChI=1S/C12H9IN4O2S2/c13-8-1-3-9(4-2-8)17-7-10(15-16-17)11-5-6-12(20-11)21(14,18)19/h1-7H,(H2,14,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492874
(CHEMBL2414066)Show SMILES CC(C)(C)c1ccc(cc1)-n1cc(nn1)-c1ccc(s1)S(N)(=O)=O Show InChI InChI=1S/C16H18N4O2S2/c1-16(2,3)11-4-6-12(7-5-11)20-10-13(18-19-20)14-8-9-15(23-14)24(17,21)22/h4-10H,1-3H3,(H2,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492880
(CHEMBL2414072)Show SMILES NS(=O)(=O)c1ccc(s1)-c1cn(nn1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C12H8ClFN4O2S2/c13-8-5-7(1-2-9(8)14)18-6-10(16-17-18)11-3-4-12(21-11)22(15,19)20/h1-6H,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492878
(CHEMBL2414071)Show SMILES NS(=O)(=O)c1ccc(s1)-c1cn(nn1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C12H8Cl2N4O2S2/c13-8-2-1-7(5-9(8)14)18-6-10(16-17-18)11-3-4-12(21-11)22(15,19)20/h1-6H,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50492882
(CHEMBL2414075)Show SMILES CS(=O)(=O)c1ccc(c(F)c1)-n1cc(nn1)-c1ccc(s1)S(N)(=O)=O Show InChI InChI=1S/C13H11FN4O4S3/c1-24(19,20)8-2-3-11(9(14)6-8)18-7-10(16-17-18)12-4-5-13(23-12)25(15,21)22/h2-7H,1H3,(H2,15,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492883
(CHEMBL2414065)Show InChI InChI=1S/C13H12N4O2S2/c1-9-2-4-10(5-3-9)17-8-11(15-16-17)12-6-7-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492881
(CHEMBL2414064)Show InChI InChI=1S/C13H12N4O2S2/c1-9-3-2-4-10(7-9)17-8-11(15-16-17)12-5-6-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50495583
(CHEMBL3114101)Show SMILES Clc1ccc(cc1)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C15H9ClN4O3S/c16-12-2-4-13(5-3-12)20-15(17-18-19-20)11-1-6-14-10(9-11)7-8-24(21,22)23-14/h1-9H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492879
(CHEMBL2414070)Show SMILES NS(=O)(=O)c1ccc(s1)-c1cn(nn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H9N5O2S2/c14-7-9-2-1-3-10(6-9)18-8-11(16-17-18)12-4-5-13(21-12)22(15,19)20/h1-6,8H,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
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 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method |
J Med Chem 56: 293-300 (2013)
Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50495591
(CHEMBL3114102)Show SMILES Fc1ccc(cc1Cl)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:23| Show InChI InChI=1S/C15H8ClFN4O3S/c16-12-8-11(2-3-13(12)17)21-15(18-19-20-21)10-1-4-14-9(7-10)5-6-25(22,23)24-14/h1-8H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50492877
(CHEMBL2414074)Show InChI InChI=1S/C12H9IN4O2S2/c13-8-1-3-9(4-2-8)17-7-10(15-16-17)11-5-6-12(20-11)21(14,18)19/h1-7H,(H2,14,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496437
(CHEMBL3127562)Show SMILES FC(F)(F)c1ccc(cc1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:25| Show InChI InChI=1S/C17H10F3N3O3S/c18-17(19,20)13-3-1-11(2-4-13)15-10-23(22-21-15)14-5-6-16-12(9-14)7-8-27(24,25)26-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496431
(CHEMBL3127556)Show SMILES CC(C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18| Show InChI InChI=1S/C14H15N3O3S/c1-14(2,3)13-9-17(16-15-13)11-4-5-12-10(8-11)6-7-21(18,19)20-12/h4-9H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
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
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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CHEMBL
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| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 6 hrs by stopped-flow CO2 hydration assay |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115496
BindingDB Entry DOI: 10.7270/Q2W66QB6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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CHEMBL
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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 |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50495588
(CHEMBL3114104)Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1nnnn1-c1cccc2ccccc12 |c:11| Show InChI InChI=1S/C19H12N4O3S/c24-27(25)11-10-14-12-15(8-9-18(14)26-27)19-20-21-22-23(19)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H | PDB
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Reactome pathway
KEGG
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B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496430
(CHEMBL3127557)Show SMILES CC(C)(O)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18| Show InChI InChI=1S/C13H13N3O4S/c1-13(2,17)12-8-16(15-14-12)10-3-4-11-9(7-10)5-6-21(18,19)20-11/h3-8,17H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496432
(CHEMBL3127555)Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-n1cc(nn1)C1CC1 |c:11| Show InChI InChI=1S/C13H11N3O3S/c17-20(18)6-5-10-7-11(3-4-13(10)19-20)16-8-12(14-15-16)9-1-2-9/h3-9H,1-2H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50492879
(CHEMBL2414070)Show SMILES NS(=O)(=O)c1ccc(s1)-c1cn(nn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H9N5O2S2/c14-7-9-2-1-3-10(6-9)18-8-11(16-17-18)12-4-5-13(21-12)22(15,19)20/h1-6,8H,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50495592
(CHEMBL3114096)Show SMILES Cc1ccc(cc1)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H12N4O3S/c1-11-2-5-14(6-3-11)20-16(17-18-19-20)13-4-7-15-12(10-13)8-9-24(21,22)23-15/h2-10H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492875
(CHEMBL2414077)Show InChI InChI=1S/C12H10N4O2S2/c13-20(17,18)12-7-6-11(19-12)10-8-16(15-14-10)9-4-2-1-3-5-9/h1-8H,(H2,13,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50492881
(CHEMBL2414064)Show InChI InChI=1S/C13H12N4O2S2/c1-9-3-2-4-10(7-9)17-8-11(15-16-17)12-5-6-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50492873
(CHEMBL2414067)Show InChI InChI=1S/C13H12N4O3S2/c1-20-10-4-2-9(3-5-10)17-8-11(15-16-17)12-6-7-13(21-12)22(14,18)19/h2-8H,1H3,(H2,14,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50495584
(CHEMBL3114098)Show SMILES COc1ccc(cc1)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:23| Show InChI InChI=1S/C16H12N4O4S/c1-23-14-5-3-13(4-6-14)20-16(17-18-19-20)12-2-7-15-11(10-12)8-9-25(21,22)24-15/h2-10H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496429
(CHEMBL3127560)Show SMILES Nc1ccccc1-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H12N4O3S/c17-14-4-2-1-3-13(14)15-10-20(19-18-15)12-5-6-16-11(9-12)7-8-24(21,22)23-16/h1-10H,17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50495593
(CHEMBL3114093)Show InChI InChI=1S/C9H6N4O3S/c14-17(15)4-3-7-5-8(1-2-9(7)16-17)13-6-10-11-12-13/h1-6H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50492873
(CHEMBL2414067)Show InChI InChI=1S/C13H12N4O3S2/c1-20-10-4-2-9(3-5-10)17-8-11(15-16-17)12-6-7-13(21-12)22(14,18)19/h2-8H,1H3,(H2,14,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50495588
(CHEMBL3114104)Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1nnnn1-c1cccc2ccccc12 |c:11| Show InChI InChI=1S/C19H12N4O3S/c24-27(25)11-10-14-12-15(8-9-18(14)26-27)19-20-21-22-23(19)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50492880
(CHEMBL2414072)Show SMILES NS(=O)(=O)c1ccc(s1)-c1cn(nn1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C12H8ClFN4O2S2/c13-8-5-7(1-2-9(8)14)18-6-10(16-17-18)11-3-4-12(21-11)22(15,19)20/h1-6H,(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496423
(CHEMBL3127564)Show SMILES Fc1ccc(cc1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10FN3O3S/c17-13-3-1-11(2-4-13)15-10-20(19-18-15)14-5-6-16-12(9-14)7-8-24(21,22)23-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496440
(CHEMBL3127563)Show SMILES Fc1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10FN3O3S/c17-13-3-1-2-11(8-13)15-10-20(19-18-15)14-4-5-16-12(9-14)6-7-24(21,22)23-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50495591
(CHEMBL3114102)Show SMILES Fc1ccc(cc1Cl)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:23| Show InChI InChI=1S/C15H8ClFN4O3S/c16-12-8-11(2-3-13(12)17)21-15(18-19-20-21)10-1-4-14-9(7-10)5-6-25(22,23)24-14/h1-8H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50426698
(CHEMBL2326518)Show SMILES CCN(CC)Cc1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:20| Show InChI InChI=1S/C15H18N4O3S/c1-3-18(4-2)10-13-11-19(17-16-13)14-5-6-15-12(9-14)7-8-23(20,21)22-15/h5-9,11H,3-4,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method |
J Med Chem 56: 293-300 (2013)
Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50495594
(CHEMBL3114095)Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1nnnn1-c1ccccc1 |c:11| Show InChI InChI=1S/C15H10N4O3S/c20-23(21)9-8-11-10-12(6-7-14(11)22-23)15-16-17-18-19(15)13-4-2-1-3-5-13/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50492875
(CHEMBL2414077)Show InChI InChI=1S/C12H10N4O2S2/c13-20(17,18)12-7-6-11(19-12)10-8-16(15-14-10)9-4-2-1-3-5-9/h1-8H,(H2,13,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496433
(CHEMBL3127572)Show SMILES Fc1cccc(c1)-c1cnnn1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10FN3O3S/c17-13-3-1-2-11(8-13)15-10-18-19-20(15)14-4-5-16-12(9-14)6-7-24(21,22)23-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50496425
(CHEMBL3127571)Show SMILES FC(F)(F)c1ccc(cc1)-c1cnnn1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:25| Show InChI InChI=1S/C17H10F3N3O3S/c18-17(19,20)13-3-1-11(2-4-13)15-10-21-22-23(15)14-5-6-16-12(9-14)7-8-27(24,25)26-16/h1-10H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50495586
(CHEMBL3114100)Show SMILES Brc1cccc(c1)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C15H9BrN4O3S/c16-12-2-1-3-13(9-12)20-15(17-18-19-20)11-4-5-14-10(8-11)6-7-24(21,22)23-14/h1-9H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method |
Bioorg Med Chem 22: 1522-8 (2014)
Article DOI: 10.1016/j.bmc.2014.01.043
BindingDB Entry DOI: 10.7270/Q29C71C6 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50492875
(CHEMBL2414077)Show InChI InChI=1S/C12H10N4O2S2/c13-20(17,18)12-7-6-11(19-12)10-8-16(15-14-10)9-4-2-1-3-5-9/h1-8H,(H2,13,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50492884
(CHEMBL2414068)Show SMILES NS(=O)(=O)c1ccc(s1)-c1cn(nn1)-c1cccc2ccccc12 Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)16-9-8-15(23-16)13-10-20(19-18-13)14-7-3-5-11-4-1-2-6-12(11)14/h1-10H,(H2,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Association of Human Genetics
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 21: 5130-8 (2013)
Article DOI: 10.1016/j.bmc.2013.06.041
BindingDB Entry DOI: 10.7270/Q2417108 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50496433
(CHEMBL3127572)Show SMILES Fc1cccc(c1)-c1cnnn1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10FN3O3S/c17-13-3-1-2-11(8-13)15-10-18-19-20(15)14-4-5-16-12(9-14)6-7-24(21,22)23-16/h1-10H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496441
(CHEMBL3127558)Show SMILES Clc1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10ClN3O3S/c17-13-3-1-2-11(8-13)15-10-20(19-18-15)14-4-5-16-12(9-14)6-7-24(21,22)23-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay |
Bioorg Med Chem Lett 24: 1256-60 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.076
BindingDB Entry DOI: 10.7270/Q25B05FH |
More data for this
Ligand-Target Pair | |
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