BindingDB logo
myBDB logout

10 molecules are shown

Compile data set for download or QSAR
Wt: 393.5
BDBM50167325
Wt: 365.4
BDBM50167335
Wt: 393.5
BDBM50167345
Wt: 393.5
BDBM50167358
Wt: 365.4
BDBM50167362
Wt: 372.7
BDBM50349846
Wt: 372.7
BDBM50349848
Wt: 388.7
BDBM50349849
Wt: 344.7
BDBM50349850
Wt: 372.8
BDBM50349851

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50167325,50167335,50167345,50167358,50167362,50349846,50349848,50349849,50349850,50349851   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
0.75n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
0.75n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50349848
PNG
(CHEMBL1813209)
Show SMILES CC(Nc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(O)=O
Show InChI InChI=1S/C12H13ClN6O4S/c1-6(9(20)21)15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,22)23/h2-6H,1H3,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.960n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50349848
PNG
(CHEMBL1813209)
Show SMILES CC(Nc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(O)=O
Show InChI InChI=1S/C12H13ClN6O4S/c1-6(9(20)21)15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,22)23/h2-6H,1H3,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50167325
PNG
(4-(4,6-Bis-diethylamino-[1,3,5]triazin-2-ylamino)-...)
Show SMILES CCN(CC)c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(n1)N(CC)CC
Show InChI InChI=1S/C17H27N7O2S/c1-5-23(6-2)16-20-15(21-17(22-16)24(7-3)8-4)19-13-9-11-14(12-10-13)27(18,25)26/h9-12H,5-8H2,1-4H3,(H2,18,25,26)(H,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50349846
PNG
(CHEMBL1738792)
Show SMILES COC(=O)CNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C12H13ClN6O4S/c1-23-9(20)6-15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,21)22/h2-5H,6H2,1H3,(H2,14,21,22)(H2,15,16,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50349846
PNG
(CHEMBL1738792)
Show SMILES COC(=O)CNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C12H13ClN6O4S/c1-23-9(20)6-15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,21)22/h2-5H,6H2,1H3,(H2,14,21,22)(H2,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
6.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50349849
PNG
(CHEMBL1813210)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50349846
PNG
(CHEMBL1738792)
Show SMILES COC(=O)CNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C12H13ClN6O4S/c1-23-9(20)6-15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,21)22/h2-5H,6H2,1H3,(H2,14,21,22)(H2,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50349849
PNG
(CHEMBL1813210)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50349849
PNG
(CHEMBL1813210)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50349848
PNG
(CHEMBL1813209)
Show SMILES CC(Nc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(O)=O
Show InChI InChI=1S/C12H13ClN6O4S/c1-6(9(20)21)15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,22)23/h2-6H,1H3,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50167358
PNG
(4-[4,6-Bis-(methyl-propyl-amino)-[1,3,5]triazin-2-...)
Show SMILES CCCN(C)c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(n1)N(C)CCC
Show InChI InChI=1S/C17H27N7O2S/c1-5-11-23(3)16-20-15(21-17(22-16)24(4)12-6-2)19-13-7-9-14(10-8-13)27(18,25)26/h7-10H,5-6,11-12H2,1-4H3,(H2,18,25,26)(H,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50167362
PNG
(4-(4,6-Bis-isopropylamino-[1,3,5]triazin-2-ylamino...)
Show SMILES CC(C)Nc1nc(NC(C)C)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H23N7O2S/c1-9(2)17-13-20-14(18-10(3)4)22-15(21-13)19-11-5-7-12(8-6-11)25(16,23)24/h5-10H,1-4H3,(H2,16,23,24)(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50349851
PNG
(CHEMBL1813211)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1
Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50349851
PNG
(CHEMBL1813211)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1
Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
34.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50167362
PNG
(4-(4,6-Bis-isopropylamino-[1,3,5]triazin-2-ylamino...)
Show SMILES CC(C)Nc1nc(NC(C)C)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H23N7O2S/c1-9(2)17-13-20-14(18-10(3)4)22-15(21-13)19-11-5-7-12(8-6-11)25(16,23)24/h5-10H,1-4H3,(H2,16,23,24)(H3,17,18,19,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50167358
PNG
(4-[4,6-Bis-(methyl-propyl-amino)-[1,3,5]triazin-2-...)
Show SMILES CCCN(C)c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(n1)N(C)CCC
Show InChI InChI=1S/C17H27N7O2S/c1-5-11-23(3)16-20-15(21-17(22-16)24(4)12-6-2)19-13-7-9-14(10-8-13)27(18,25)26/h7-10H,5-6,11-12H2,1-4H3,(H2,18,25,26)(H,19,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50349846
PNG
(CHEMBL1738792)
Show SMILES COC(=O)CNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C12H13ClN6O4S/c1-23-9(20)6-15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,21)22/h2-5H,6H2,1H3,(H2,14,21,22)(H2,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50349851
PNG
(CHEMBL1813211)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1
Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
43.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50167335
PNG
(4-(4,6-Bis-propylamino-[1,3,5]triazin-2-ylamino)-b...)
Show SMILES CCCNc1nc(NCCC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H23N7O2S/c1-3-9-17-13-20-14(18-10-4-2)22-15(21-13)19-11-5-7-12(8-6-11)25(16,23)24/h5-8H,3-4,9-10H2,1-2H3,(H2,16,23,24)(H3,17,18,19,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
49n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50167335
PNG
(4-(4,6-Bis-propylamino-[1,3,5]triazin-2-ylamino)-b...)
Show SMILES CCCNc1nc(NCCC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H23N7O2S/c1-3-9-17-13-20-14(18-10-4-2)22-15(21-13)19-11-5-7-12(8-6-11)25(16,23)24/h5-8H,3-4,9-10H2,1-2H3,(H2,16,23,24)(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50167325
PNG
(4-(4,6-Bis-diethylamino-[1,3,5]triazin-2-ylamino)-...)
Show SMILES CCN(CC)c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(n1)N(CC)CC
Show InChI InChI=1S/C17H27N7O2S/c1-5-23(6-2)16-20-15(21-17(22-16)24(7-3)8-4)19-13-9-11-14(12-10-13)27(18,25)26/h9-12H,5-8H2,1-4H3,(H2,18,25,26)(H,19,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50349849
PNG
(CHEMBL1813210)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
109n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50349851
PNG
(CHEMBL1813211)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1
Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
119n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50167325
PNG
(4-(4,6-Bis-diethylamino-[1,3,5]triazin-2-ylamino)-...)
Show SMILES CCN(CC)c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(n1)N(CC)CC
Show InChI InChI=1S/C17H27N7O2S/c1-5-23(6-2)16-20-15(21-17(22-16)24(7-3)8-4)19-13-9-11-14(12-10-13)27(18,25)26/h9-12H,5-8H2,1-4H3,(H2,18,25,26)(H,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
128n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50167345
PNG
(4-(4,6-Bis-butylamino-[1,3,5]triazin-2-ylamino)-be...)
Show SMILES CCCCNc1nc(NCCCC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H27N7O2S/c1-3-5-11-19-15-22-16(20-12-6-4-2)24-17(23-15)21-13-7-9-14(10-8-13)27(18,25)26/h7-10H,3-6,11-12H2,1-2H3,(H2,18,25,26)(H3,19,20,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
146n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50167358
PNG
(4-[4,6-Bis-(methyl-propyl-amino)-[1,3,5]triazin-2-...)
Show SMILES CCCN(C)c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(n1)N(C)CCC
Show InChI InChI=1S/C17H27N7O2S/c1-5-11-23(3)16-20-15(21-17(22-16)24(4)12-6-2)19-13-7-9-14(10-8-13)27(18,25)26/h7-10H,5-6,11-12H2,1-4H3,(H2,18,25,26)(H,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
176n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50167345
PNG
(4-(4,6-Bis-butylamino-[1,3,5]triazin-2-ylamino)-be...)
Show SMILES CCCCNc1nc(NCCCC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H27N7O2S/c1-3-5-11-19-15-22-16(20-12-6-4-2)24-17(23-15)21-13-7-9-14(10-8-13)27(18,25)26/h7-10H,3-6,11-12H2,1-2H3,(H2,18,25,26)(H3,19,20,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
185n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50167362
PNG
(4-(4,6-Bis-isopropylamino-[1,3,5]triazin-2-ylamino...)
Show SMILES CC(C)Nc1nc(NC(C)C)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H23N7O2S/c1-9(2)17-13-20-14(18-10(3)4)22-15(21-13)19-11-5-7-12(8-6-11)25(16,23)24/h5-10H,1-4H3,(H2,16,23,24)(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
235n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50167335
PNG
(4-(4,6-Bis-propylamino-[1,3,5]triazin-2-ylamino)-b...)
Show SMILES CCCNc1nc(NCCC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H23N7O2S/c1-3-9-17-13-20-14(18-10-4-2)22-15(21-13)19-11-5-7-12(8-6-11)25(16,23)24/h5-8H,3-4,9-10H2,1-2H3,(H2,16,23,24)(H3,17,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
368n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50349849
PNG
(CHEMBL1813210)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
412n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50349848
PNG
(CHEMBL1813209)
Show SMILES CC(Nc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(O)=O
Show InChI InChI=1S/C12H13ClN6O4S/c1-6(9(20)21)15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,22)23/h2-6H,1H3,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
561n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50167345
PNG
(4-(4,6-Bis-butylamino-[1,3,5]triazin-2-ylamino)-be...)
Show SMILES CCCCNc1nc(NCCCC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H27N7O2S/c1-3-5-11-19-15-22-16(20-12-6-4-2)24-17(23-15)21-13-7-9-14(10-8-13)27(18,25)26/h7-10H,3-6,11-12H2,1-2H3,(H2,18,25,26)(H3,19,20,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
561n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50349850
PNG
(CHEMBL1738787)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50349851
PNG
(CHEMBL1813211)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1
Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50349848
PNG
(CHEMBL1813209)
Show SMILES CC(Nc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(O)=O
Show InChI InChI=1S/C12H13ClN6O4S/c1-6(9(20)21)15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,22)23/h2-6H,1H3,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.32E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50349846
PNG
(CHEMBL1738792)
Show SMILES COC(=O)CNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C12H13ClN6O4S/c1-23-9(20)6-15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,21)22/h2-5H,6H2,1H3,(H2,14,21,22)(H2,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
3.08E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair