BindingDB logo
myBDB logout

PubMed code 25753329

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065655
PNG
(CHEMBL3402840)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:20|
Show InChI InChI=1S/C15H9F3O4S/c16-15(17,18)21-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-23(19,20)22-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065653
PNG
(CHEMBL3402842)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-22(19,20)21-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065659
PNG
(CHEMBL3402836)
Show SMILES Fc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C14H9FO3S/c15-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19(16,17)18-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065649
PNG
(CHEMBL3402833)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1ccccc1 |c:11|
Show InChI InChI=1S/C14H10O3S/c15-18(16)9-8-13-10-12(6-7-14(13)17-18)11-4-2-1-3-5-11/h1-10H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065650
PNG
(CHEMBL3402845)
Show SMILES Clc1ccc(cc1Cl)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17|
Show InChI InChI=1S/C14H8Cl2O3S/c15-12-3-1-10(8-13(12)16)9-2-4-14-11(7-9)5-6-20(17,18)19-14/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
5.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065647
PNG
(CHEMBL3402835)
Show SMILES Cc1ccccc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C15H12O3S/c1-11-4-2-3-5-14(11)12-6-7-15-13(10-12)8-9-19(16,17)18-15/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065652
PNG
(CHEMBL3402843)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-22(19,20)21-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065654
PNG
(CHEMBL3402841)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C18H18O3S/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-22(19,20)21-17/h4-12H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.80n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065656
PNG
(CHEMBL3402839)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C17H16O4S/c1-12(2)20-16-6-3-13(4-7-16)14-5-8-17-15(11-14)9-10-22(18,19)21-17/h3-12H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065651
PNG
(CHEMBL3402844)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H12O5S/c1-20-16(17)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-22(18,19)21-15/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065651
PNG
(CHEMBL3402844)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H12O5S/c1-20-16(17)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-22(18,19)21-15/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065654
PNG
(CHEMBL3402841)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C18H18O3S/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-22(19,20)21-17/h4-12H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065650
PNG
(CHEMBL3402845)
Show SMILES Clc1ccc(cc1Cl)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17|
Show InChI InChI=1S/C14H8Cl2O3S/c15-12-3-1-10(8-13(12)16)9-2-4-14-11(7-9)5-6-20(17,18)19-14/h1-8H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.40n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065658
PNG
(CHEMBL3402837)
Show SMILES Fc1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C14H9FO3S/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-19(16,17)18-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.40n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065652
PNG
(CHEMBL3402843)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-22(19,20)21-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.80n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065656
PNG
(CHEMBL3402839)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C17H16O4S/c1-12(2)20-16-6-3-13(4-7-16)14-5-8-17-15(11-14)9-10-22(18,19)21-17/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.80n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065658
PNG
(CHEMBL3402837)
Show SMILES Fc1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C14H9FO3S/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-19(16,17)18-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065657
PNG
(CHEMBL3402838)
Show SMILES COc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17|
Show InChI InChI=1S/C15H12O4S/c1-18-14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-20(16,17)19-15/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065648
PNG
(CHEMBL3402834)
Show SMILES Cc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C15H12O3S/c1-11-2-4-12(5-3-11)13-6-7-15-14(10-13)8-9-19(16,17)18-15/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
25n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065653
PNG
(CHEMBL3402842)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-22(19,20)21-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065649
PNG
(CHEMBL3402833)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1ccccc1 |c:11|
Show InChI InChI=1S/C14H10O3S/c15-18(16)9-8-13-10-12(6-7-14(13)17-18)11-4-2-1-3-5-11/h1-10H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
60n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065647
PNG
(CHEMBL3402835)
Show SMILES Cc1ccccc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C15H12O3S/c1-11-4-2-3-5-14(11)12-6-7-15-13(10-12)8-9-19(16,17)18-15/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
71n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065657
PNG
(CHEMBL3402838)
Show SMILES COc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17|
Show InChI InChI=1S/C15H12O4S/c1-18-14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-20(16,17)19-15/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
71n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065655
PNG
(CHEMBL3402840)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:20|
Show InChI InChI=1S/C15H9F3O4S/c16-15(17,18)21-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-23(19,20)22-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
76n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065648
PNG
(CHEMBL3402834)
Show SMILES Cc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C15H12O3S/c1-11-2-4-12(5-3-11)13-6-7-15-14(10-13)8-9-19(16,17)18-15/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
77n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065659
PNG
(CHEMBL3402836)
Show SMILES Fc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C14H9FO3S/c15-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19(16,17)18-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
95n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
250n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065650
PNG
(CHEMBL3402845)
Show SMILES Clc1ccc(cc1Cl)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17|
Show InChI InChI=1S/C14H8Cl2O3S/c15-12-3-1-10(8-13(12)16)9-2-4-14-11(7-9)5-6-20(17,18)19-14/h1-8H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065649
PNG
(CHEMBL3402833)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1ccccc1 |c:11|
Show InChI InChI=1S/C14H10O3S/c15-18(16)9-8-13-10-12(6-7-14(13)17-18)11-4-2-1-3-5-11/h1-10H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065654
PNG
(CHEMBL3402841)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C18H18O3S/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-22(19,20)21-17/h4-12H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065655
PNG
(CHEMBL3402840)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:20|
Show InChI InChI=1S/C15H9F3O4S/c16-15(17,18)21-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-23(19,20)22-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065657
PNG
(CHEMBL3402838)
Show SMILES COc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17|
Show InChI InChI=1S/C15H12O4S/c1-18-14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-20(16,17)19-15/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065658
PNG
(CHEMBL3402837)
Show SMILES Fc1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C14H9FO3S/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-19(16,17)18-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065658
PNG
(CHEMBL3402837)
Show SMILES Fc1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C14H9FO3S/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-19(16,17)18-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065655
PNG
(CHEMBL3402840)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:20|
Show InChI InChI=1S/C15H9F3O4S/c16-15(17,18)21-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-23(19,20)22-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065650
PNG
(CHEMBL3402845)
Show SMILES Clc1ccc(cc1Cl)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17|
Show InChI InChI=1S/C14H8Cl2O3S/c15-12-3-1-10(8-13(12)16)9-2-4-14-11(7-9)5-6-20(17,18)19-14/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065647
PNG
(CHEMBL3402835)
Show SMILES Cc1ccccc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C15H12O3S/c1-11-4-2-3-5-14(11)12-6-7-15-13(10-12)8-9-19(16,17)18-15/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065652
PNG
(CHEMBL3402843)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-22(19,20)21-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065653
PNG
(CHEMBL3402842)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-22(19,20)21-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065659
PNG
(CHEMBL3402836)
Show SMILES Fc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C14H9FO3S/c15-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19(16,17)18-14/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065653
PNG
(CHEMBL3402842)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-22(19,20)21-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065656
PNG
(CHEMBL3402839)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C17H16O4S/c1-12(2)20-16-6-3-13(4-7-16)14-5-8-17-15(11-14)9-10-22(18,19)21-17/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065657
PNG
(CHEMBL3402838)
Show SMILES COc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17|
Show InChI InChI=1S/C15H12O4S/c1-18-14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-20(16,17)19-15/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065648
PNG
(CHEMBL3402834)
Show SMILES Cc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C15H12O3S/c1-11-2-4-12(5-3-11)13-6-7-15-14(10-13)8-9-19(16,17)18-15/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065654
PNG
(CHEMBL3402841)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C18H18O3S/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-22(19,20)21-17/h4-12H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065651
PNG
(CHEMBL3402844)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H12O5S/c1-20-16(17)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-22(18,19)21-15/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065649
PNG
(CHEMBL3402833)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1ccccc1 |c:11|
Show InChI InChI=1S/C14H10O3S/c15-18(16)9-8-13-10-12(6-7-14(13)17-18)11-4-2-1-3-5-11/h1-10H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065656
PNG
(CHEMBL3402839)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C17H16O4S/c1-12(2)20-16-6-3-13(4-7-16)14-5-8-17-15(11-14)9-10-22(18,19)21-17/h3-12H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065651
PNG
(CHEMBL3402844)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H12O5S/c1-20-16(17)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-22(18,19)21-15/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065652
PNG
(CHEMBL3402843)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-22(19,20)21-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065647
PNG
(CHEMBL3402835)
Show SMILES Cc1ccccc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C15H12O3S/c1-11-4-2-3-5-14(11)12-6-7-15-13(10-12)8-9-19(16,17)18-15/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50065648
PNG
(CHEMBL3402834)
Show SMILES Cc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C15H12O3S/c1-11-2-4-12(5-3-11)13-6-7-15-14(10-13)8-9-19(16,17)18-15/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50065659
PNG
(CHEMBL3402836)
Show SMILES Fc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C14H9FO3S/c15-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19(16,17)18-14/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%