BindingDB logo
myBDB logout

9 molecules are shown

Wt: 297.7
BDBM13076
Purchase
Wt: 380.6
BDBM26998
Purchase
Wt: 670.2
BDBM50114223
Wt: 399.8
BDBM50080709
Wt: 356.8
BDBM50080736
Wt: 342.7
BDBM50080672
Wt: 404.8
BDBM50174036
Wt: 295.3
BDBM50190241
Wt: 517.3
BDBM50211825

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 90 hits for monomerid = 13076,26998,50114223,50080709,50080736,50080672,50174036,50190241,50211825   
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
Carbonate dehydratase


(Sulfurihydrogenibium sp. (strain YO3AOP1))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
7.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM26998
PNG
(6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-...)
Show SMILES NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl
Show InChI InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 17: 1214-21 (2009)


Article DOI: 10.1016/j.bmc.2008.12.023
BindingDB Entry DOI: 10.7270/Q2FN14HZ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211825
PNG
(4,5-dichloro-6-[({[(4-methylphenyl)sulfonyl]amino}...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H14Cl2N4O7S3/c1-7-2-4-8(5-3-7)30(26,27)20-14(21)19-13-10(29(18,24)25)6-9(28(17,22)23)11(15)12(13)16/h2-6H,1H3,(H2,17,22,23)(H2,18,24,25)(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190241
PNG
(6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S
Show InChI InChI=1S/C7H9N3O4S3/c8-16(11,12)7-2-6-4(1-5(7)15)9-3-10-17(6,13)14/h1-2,9-10,15H,3H2,(H2,8,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190241
PNG
(6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S
Show InChI InChI=1S/C7H9N3O4S3/c8-16(11,12)7-2-6-4(1-5(7)15)9-3-10-17(6,13)14/h1-2,9-10,15H,3H2,(H2,8,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50080736
PNG
(CHEMBL122808 | N-(5-Chloro-2,4-disulfamoyl-phenyl)...)
Show SMILES CNCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C9H13ClN4O5S2/c1-13-4-9(15)14-6-2-5(10)7(20(11,16)17)3-8(6)21(12,18)19/h2-3,13H,4H2,1H3,(H,14,15)(H2,11,16,17)(H2,12,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50080709
PNG
(2-Amino-N-[(5-chloro-2,4-disulfamoyl-phenylcarbamo...)
Show SMILES NCC(=O)NCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C10H14ClN5O6S2/c11-5-1-6(16-10(18)4-15-9(17)3-12)8(24(14,21)22)2-7(5)23(13,19)20/h1-2H,3-4,12H2,(H,15,17)(H,16,18)(H2,13,19,20)(H2,14,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50080672
PNG
(2-Amino-N-(5-chloro-2,4-disulfamoyl-phenyl)-acetam...)
Show SMILES NCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C8H11ClN4O5S2/c9-4-1-5(13-8(14)3-10)7(20(12,17)18)2-6(4)19(11,15)16/h1-2H,3,10H2,(H,13,14)(H2,11,15,16)(H2,12,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50114223
PNG
((R)-4-((1R,5S,7S,8R,12S,15S)-10,13-Dimethyl-3,7,12...)
Show SMILES C[C@H](CCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
Show InChI InChI=1S/C30H40ClN3O8S2/c1-15(4-7-27(38)34-22-13-21(31)24(43(32,39)40)14-25(22)44(33,41)42)18-5-6-19-28-20(12-26(37)30(18,19)3)29(2)9-8-17(35)10-16(29)11-23(28)36/h13-16,18-20,28H,4-12H2,1-3H3,(H,34,38)(H2,32,39,40)(H2,33,41,42)/t15-,16+,18-,19+,20+,28+,29+,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211825
PNG
(4,5-dichloro-6-[({[(4-methylphenyl)sulfonyl]amino}...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H14Cl2N4O7S3/c1-7-2-4-8(5-3-7)30(26,27)20-14(21)19-13-10(29(18,24)25)6-9(28(17,22)23)11(15)12(13)16/h2-6H,1H3,(H2,17,22,23)(H2,18,24,25)(H2,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50211825
PNG
(4,5-dichloro-6-[({[(4-methylphenyl)sulfonyl]amino}...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H14Cl2N4O7S3/c1-7-2-4-8(5-3-7)30(26,27)20-14(21)19-13-10(29(18,24)25)6-9(28(17,22)23)11(15)12(13)16/h2-6H,1H3,(H2,17,22,23)(H2,18,24,25)(H2,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Anopheles gambiae)
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
32n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Anopheles gambiae carbonic anhydrase pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2303-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.081
BindingDB Entry DOI: 10.7270/Q2TX3H2M
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114223
PNG
((R)-4-((1R,5S,7S,8R,12S,15S)-10,13-Dimethyl-3,7,12...)
Show SMILES C[C@H](CCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
Show InChI InChI=1S/C30H40ClN3O8S2/c1-15(4-7-27(38)34-22-13-21(31)24(43(32,39)40)14-25(22)44(33,41)42)18-5-6-19-28-20(12-26(37)30(18,19)3)29(2)9-8-17(35)10-16(29)11-23(28)36/h13-16,18-20,28H,4-12H2,1-3H3,(H,34,38)(H2,32,39,40)(H2,33,41,42)/t15-,16+,18-,19+,20+,28+,29+,30-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080736
PNG
(CHEMBL122808 | N-(5-Chloro-2,4-disulfamoyl-phenyl)...)
Show SMILES CNCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C9H13ClN4O5S2/c1-13-4-9(15)14-6-2-5(10)7(20(11,16)17)3-8(6)21(12,18)19/h2-3,13H,4H2,1H3,(H,14,15)(H2,11,16,17)(H2,12,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080709
PNG
(2-Amino-N-[(5-chloro-2,4-disulfamoyl-phenylcarbamo...)
Show SMILES NCC(=O)NCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C10H14ClN5O6S2/c11-5-1-6(16-10(18)4-15-9(17)3-12)8(24(14,21)22)2-7(5)23(13,19)20/h1-2H,3-4,12H2,(H,15,17)(H,16,18)(H2,13,19,20)(H2,14,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080672
PNG
(2-Amino-N-(5-chloro-2,4-disulfamoyl-phenyl)-acetam...)
Show SMILES NCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C8H11ClN4O5S2/c9-4-1-5(13-8(14)3-10)7(20(12,17)18)2-6(4)19(11,15)16/h1-2H,3,10H2,(H,13,14)(H2,11,15,16)(H2,12,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50114223
PNG
((R)-4-((1R,5S,7S,8R,12S,15S)-10,13-Dimethyl-3,7,12...)
Show SMILES C[C@H](CCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
Show InChI InChI=1S/C30H40ClN3O8S2/c1-15(4-7-27(38)34-22-13-21(31)24(43(32,39)40)14-25(22)44(33,41)42)18-5-6-19-28-20(12-26(37)30(18,19)3)29(2)9-8-17(35)10-16(29)11-23(28)36/h13-16,18-20,28H,4-12H2,1-3H3,(H,34,38)(H2,32,39,40)(H2,33,41,42)/t15-,16+,18-,19+,20+,28+,29+,30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
77n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM26998
PNG
(6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-...)
Show SMILES NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl
Show InChI InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
87n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 17: 1214-21 (2009)


Article DOI: 10.1016/j.bmc.2008.12.023
BindingDB Entry DOI: 10.7270/Q2FN14HZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM26998
PNG
(6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-...)
Show SMILES NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl
Show InChI InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
91 -9.44n/an/an/an/an/a7.520



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 17: 1214-21 (2009)


Article DOI: 10.1016/j.bmc.2008.12.023
BindingDB Entry DOI: 10.7270/Q2FN14HZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50174036
PNG
(4-Chloro-6-(3-phenyl-ureido)-benzene-1,3-disulfoni...)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)Nc2ccccc2)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-6-10(18-13(19)17-8-4-2-1-3-5-8)12(25(16,22)23)7-11(9)24(15,20)21/h1-7H,(H2,15,20,21)(H2,16,22,23)(H2,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50190241
PNG
(6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S
Show InChI InChI=1S/C7H9N3O4S3/c8-16(11,12)7-2-6-4(1-5(7)15)9-3-10-17(6,13)14/h1-2,9-10,15H,3H2,(H2,8,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
113n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50190241
PNG
(6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S
Show InChI InChI=1S/C7H9N3O4S3/c8-16(11,12)7-2-6-4(1-5(7)15)9-3-10-17(6,13)14/h1-2,9-10,15H,3H2,(H2,8,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
115n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50190241
PNG
(6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S
Show InChI InChI=1S/C7H9N3O4S3/c8-16(11,12)7-2-6-4(1-5(7)15)9-3-10-17(6,13)14/h1-2,9-10,15H,3H2,(H2,8,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
117n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50190241
PNG
(6-mercapto-3,4-dihydro-2H-1,2,4-benzothiadiazine-7...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1S
Show InChI InChI=1S/C7H9N3O4S3/c8-16(11,12)7-2-6-4(1-5(7)15)9-3-10-17(6,13)14/h1-2,9-10,15H,3H2,(H2,8,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
118n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM26998
PNG
(6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-...)
Show SMILES NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl
Show InChI InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
134 -9.21n/an/an/an/an/a7.520



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 17: 1214-21 (2009)


Article DOI: 10.1016/j.bmc.2008.12.023
BindingDB Entry DOI: 10.7270/Q2FN14HZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50174036
PNG
(4-Chloro-6-(3-phenyl-ureido)-benzene-1,3-disulfoni...)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)Nc2ccccc2)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-6-10(18-13(19)17-8-4-2-1-3-5-8)12(25(16,22)23)7-11(9)24(15,20)21/h1-7H,(H2,15,20,21)(H2,16,22,23)(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
146n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/a7.5n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at pH 7.5


Bioorg Med Chem 19: 1847-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.015
BindingDB Entry DOI: 10.7270/Q2QN672R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290 -8.91n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


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


Bioorg Med Chem 20: 1403-10 (2012)


Article DOI: 10.1016/j.bmc.2012.01.007
BindingDB Entry DOI: 10.7270/Q2VH5P89
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay


J Med Chem 56: 1761-71 (2013)


Article DOI: 10.1021/jm4000616
BindingDB Entry DOI: 10.7270/Q2CF9RFV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Istituto di Biochimica delle Proteine-CNR

Curated by ChEMBL


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


J Med Chem 55: 10742-8 (2012)


Article DOI: 10.1021/jm301611m
BindingDB Entry DOI: 10.7270/Q2PR7X5G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3550-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.079
BindingDB Entry DOI: 10.7270/Q23B61XS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


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


Bioorg Med Chem 23: 2303-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.081
BindingDB Entry DOI: 10.7270/Q2TX3H2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Universit£ degliStudi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 1728-34 (2015)


Article DOI: 10.1016/j.bmc.2015.02.045
BindingDB Entry DOI: 10.7270/Q22R3T9X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Istituto di Biochimica delle Proteine - CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 4537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.07.048
BindingDB Entry DOI: 10.7270/Q2959K68
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 526-31 (2015)


Article DOI: 10.1016/j.bmc.2014.12.009
BindingDB Entry DOI: 10.7270/Q20K2B62
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


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


Bioorg Med Chem 22: 2939-46 (2014)


Article DOI: 10.1016/j.bmc.2014.04.006
BindingDB Entry DOI: 10.7270/Q2WW7K7G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

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: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 1115-20 (2016)


Article DOI: 10.1016/j.bmc.2016.01.037
BindingDB Entry DOI: 10.7270/Q26W9CXH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Recep Tayyip Erdogan University

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 1821-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.032
BindingDB Entry DOI: 10.7270/Q2GM896M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
290n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 1253-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.023
BindingDB Entry DOI: 10.7270/Q21Z4685
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase, alpha family


(Thiomicrospira crunogena (strain XCL-2))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
296n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM26998
PNG
(6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-...)
Show SMILES NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl
Show InChI InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
312n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 17: 1214-21 (2009)


Article DOI: 10.1016/j.bmc.2008.12.023
BindingDB Entry DOI: 10.7270/Q2FN14HZ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
328n/an/an/an/an/an/an/an/a



Istituto di Biochimica delle Proteine - CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Carbonic anhydrase 1 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 4537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.07.048
BindingDB Entry DOI: 10.7270/Q2959K68
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
328n/an/an/an/an/an/an/an/a



Universit£ degliStudi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 1728-34 (2015)


Article DOI: 10.1016/j.bmc.2015.02.045
BindingDB Entry DOI: 10.7270/Q22R3T9X
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
328n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


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


Bioorg Med Chem 22: 2939-46 (2014)


Article DOI: 10.1016/j.bmc.2014.04.006
BindingDB Entry DOI: 10.7270/Q2WW7K7G
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
328n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

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: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
328n/an/an/an/an/an/a7.5n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5


Bioorg Med Chem 19: 1847-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.015
BindingDB Entry DOI: 10.7270/Q2QN672R
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
328n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 90 total )  |  Next  |  Last  >>