BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1075 hits of ic50 for UniProtKB: P00918   
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 anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252998
PNG
(CHEMBL4105008)
Show SMILES Clc1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C21H16ClN5O2S2/c22-17-9-5-4-8-16(17)18-11-10-15(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.150n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...


Bioorg Med Chem 25: 3547-3554 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for ability to inhibit human erythrocyte carbonic-anhydrase-II- (HCA II) catalyzed carbon dioxide hydration


J Med Chem 37: 240-7 (1994)


Article DOI: 10.1021/jm00028a006
BindingDB Entry DOI: 10.7270/Q2N29XKD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252992
PNG
(CHEMBL4100496)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.190n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...


Bioorg Med Chem 25: 3547-3554 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50258992
PNG
(CHEMBL4081323)
Show SMILES O=C(CSC(=S)NN1CCOCC1)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C15H19N3O4S2/c19-14(9-24-15(23)17-18-3-5-20-6-4-18)16-8-11-1-2-12-13(7-11)22-10-21-12/h1-2,7H,3-6,8-10H2,(H,16,19)(H,17,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.287n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase-2


Eur J Med Chem 125: 190-196 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of full length carbonic anhydrase-2 in human erythrocytes


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50258998
PNG
(CHEMBL4099344)
Show SMILES O=C(CSC(=S)NN1CCSCC1)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C15H19N3O3S3/c19-14(9-24-15(22)17-18-3-5-23-6-4-18)16-8-11-1-2-12-13(7-11)21-10-20-12/h1-2,7H,3-6,8-10H2,(H,16,19)(H,17,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.338n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase-2


Eur J Med Chem 125: 190-196 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252993
PNG
(CHEMBL4073678)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-14-6-2-1-3-7-14)24-22-12-15-10-11-18(31-15)16-8-4-5-9-17(16)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.340n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...


Bioorg Med Chem 25: 3547-3554 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222054
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-bromophenyl)acryloy...)
Show SMILES Brc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1
Show InChI InChI=1/C24H18BrNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.245 -13.1 0.352n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222050
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(o-tolyl)acryloyl)phen...)
Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1/C25H21NO3/c1-15-4-2-3-5-16(15)10-13-21(27)17-8-11-20(12-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b13-10+/t18-,19+,22-,23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.302 -13.0 0.353n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222046
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryl...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1
Show InChI InChI=1/C25H21NO4/c1-30-20-11-2-15(3-12-20)4-13-21(27)16-7-9-19(10-8-16)26-24(28)22-17-5-6-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b13-4+/t17-,18+,22-,23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.277 -13.0 0.356n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222051
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-chlorophenyl)acrylo...)
Show SMILES Clc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1
Show InChI InChI=1/C24H18ClNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.258 -13.1 0.373n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222055
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-bromophenyl)acryloy...)
Show SMILES Brc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1
Show InChI InChI=1/C24H18BrNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.343 -12.9 0.382n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252996
PNG
(CHEMBL4097972)
Show SMILES Clc1ccc(-c2ccc(\C=N\NC(=O)CSc3nnc(Nc4ccccc4)s3)o2)c(Cl)c1
Show InChI InChI=1S/C21H15Cl2N5O2S2/c22-13-6-8-16(17(23)10-13)18-9-7-15(30-18)11-24-26-19(29)12-31-21-28-27-20(32-21)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,27)(H,26,29)/b24-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.390n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...


Bioorg Med Chem 25: 3547-3554 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222048
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(p-tolyl)acryloyl)phen...)
Show SMILES Cc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1
Show InChI InChI=1/C25H21NO3/c1-15-2-4-16(5-3-15)6-13-21(27)17-9-11-20(12-10-17)26-24(28)22-18-7-8-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b13-6+/t18-,19+,22-,23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.400 -12.8 0.406n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252995
PNG
(CHEMBL4075535)
Show SMILES Brc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C21H16BrN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.410n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...


Bioorg Med Chem 25: 3547-3554 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222056
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(2-bromophenyl)acryloy...)
Show SMILES Brc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1/C24H18BrNO3/c25-19-4-2-1-3-14(19)9-12-20(27)15-7-10-18(11-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-9+/t16-,17+,21-,22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.379 -12.8 0.415n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222052
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-chlorophenyl)acrylo...)
Show SMILES Clc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1
Show InChI InChI=1/C24H18ClNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.361 -12.9 0.419n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222047
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-methoxyphenyl)acryl...)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1
Show InChI InChI=1/C25H21NO4/c1-30-20-4-2-3-15(13-20)5-12-21(27)16-8-10-19(11-9-16)26-24(28)22-17-6-7-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b12-5+/t17-,18+,22-,23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.337 -12.9 0.435n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222053
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(2-chlorophenyl)acrylo...)
Show SMILES Clc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1/C24H18ClNO3/c25-19-4-2-1-3-14(19)9-12-20(27)15-7-10-18(11-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-9+/t16-,17+,21-,22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.377 -12.8 0.444n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222049
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(m-tolyl)acryloyl)phen...)
Show SMILES Cc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1
Show InChI InChI=1/C25H21NO3/c1-15-3-2-4-16(13-15)5-12-21(27)17-8-10-20(11-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b12-5+/t18-,19+,22-,23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.404 -12.8 0.449n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50253004
PNG
(CHEMBL4072122)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-15-6-2-1-3-7-15)24-22-12-17-9-10-18(31-17)14-5-4-8-16(11-14)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.470n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...


Bioorg Med Chem 25: 3547-3554 (2017)

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
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.343 -12.9 0.485n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222058
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(thiophen-2-yl)acryloy...)
Show SMILES O=C(\C=C\c1cccs1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1/C22H17NO3S/c24-18(10-9-17-2-1-11-27-17)13-5-7-16(8-6-13)23-21(25)19-14-3-4-15(12-14)20(19)22(23)26/h1-11,14-15,19-20H,12H2/b10-9+/t14-,15+,19-,20+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.412 -12.8 0.488n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252991
PNG
(CHEMBL4064130)
Show SMILES Clc1cccc(c1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-6-4-5-14(11-15)18-10-9-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-7-2-1-3-8-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.530n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...


Bioorg Med Chem 25: 3547-3554 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041029
PNG
((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Show SMILES CC(C)CN[C@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.540n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Human Carbonic anhydrase II (HCA II)


J Med Chem 37: 1035-54 (1994)


Article DOI: 10.1021/jm00034a001
BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041029
PNG
((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Show SMILES CC(C)CN[C@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for ability to inhibit human erythrocyte carbonic-anhydrase-II- (HCA II) catalyzed carbon dioxide hydration


J Med Chem 37: 240-7 (1994)


Article DOI: 10.1021/jm00028a006
BindingDB Entry DOI: 10.7270/Q2N29XKD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222059
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(pyridin-4-yl)acryloyl...)
Show SMILES O=C(\C=C\c1ccncc1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1/C23H18N2O3/c26-19(8-1-14-9-11-24-12-10-14)15-4-6-18(7-5-15)25-22(27)20-16-2-3-17(13-16)21(20)23(25)28/h1-12,16-17,20-21H,13H2/b8-1+/t16-,17+,20-,21+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.490 -12.7 0.551n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM222057
PNG
((3aR,4S,7R,7aS)-2-(4-((E)-3-(furan-2-yl)acryloyl)p...)
Show SMILES O=C(\C=C\c1ccco1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1/C22H17NO4/c24-18(10-9-17-2-1-11-27-17)13-5-7-16(8-6-13)23-21(25)19-14-3-4-15(12-14)20(19)22(23)26/h1-11,14-15,19-20H,12H2/b10-9+/t14-,15+,19-,20+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.390 -12.8 0.555n/an/an/an/a7.425



Cumhuriyet University



Assay Description
Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...


Bioorg Chem 70: 118-125 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.001
BindingDB Entry DOI: 10.7270/Q2CF9NZB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50043902
PNG
(3-(2-Morpholin-4-yl-ethyl)-4,4-dioxo-1,2,3,4-tetra...)
Show SMILES NS(=O)(=O)c1cc2NCC(CCN3CCOCC3)S(=O)(=O)c2s1
Show InChI InChI=1/C12H19N3O5S3/c13-23(18,19)11-7-10-12(21-11)22(16,17)9(8-14-10)1-2-15-3-5-20-6-4-15/h7,9,14H,1-6,8H2,(H2,13,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for ability to inhibit human erythrocyte carbonic-anhydrase-II- (HCA II) catalyzed carbon dioxide hydration


J Med Chem 37: 240-7 (1994)


Article DOI: 10.1021/jm00028a006
BindingDB Entry DOI: 10.7270/Q2N29XKD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11425
PNG
(2-(3-Hydroxyphenyl)-3-[(2-propynylamino)methyl]-2H...)
Show SMILES NS(=O)(=O)c1cc2C=C(CNCC#C)N(c3cccc(O)c3)S(=O)(=O)c2s1
Show InChI InChI=1S/C16H15N3O5S3/c1-2-6-18-10-13-7-11-8-15(26(17,21)22)25-16(11)27(23,24)19(13)12-4-3-5-14(20)9-12/h1,3-5,7-9,18,20H,6,10H2,(H2,17,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM13073
PNG
(2000-07790 | 3-nitro-4-(2-oxopyrrolidin-1-yl)benze...)
Show SMILES NS(=O)(=O)c1ccc(N2CCCC2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 0.620n/an/an/an/a7.425



University of Marburg



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 45: 3588-602 (2002)


Article DOI: 10.1021/jm011112j
BindingDB Entry DOI: 10.7270/Q2RJ4GQP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50258993
PNG
(CHEMBL4062231)
Show SMILES CN1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C16H22N4O3S2/c1-19-4-6-20(7-5-19)18-16(24)25-10-15(21)17-9-12-2-3-13-14(8-12)23-11-22-13/h2-3,8H,4-7,9-11H2,1H3,(H,17,21)(H,18,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.622n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase-2


Eur J Med Chem 125: 190-196 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50258997
PNG
(CHEMBL4089189)
Show SMILES O=C(CSC(=S)NN1CCCCC1)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C16H21N3O3S2/c20-15(10-24-16(23)18-19-6-2-1-3-7-19)17-9-12-4-5-13-14(8-12)22-11-21-13/h4-5,8H,1-3,6-7,9-11H2,(H,17,20)(H,18,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.651n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase-2


Eur J Med Chem 125: 190-196 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11413
PNG
(2-Cyclohexyl-3-[(4-morpholinyl)methyl]-2H-thieno[3...)
Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(C3CCCCC3)S(=O)(=O)c2s1
Show InChI InChI=1S/C17H25N3O5S3/c18-27(21,22)16-11-13-10-15(12-19-6-8-25-9-7-19)20(14-4-2-1-3-5-14)28(23,24)17(13)26-16/h10-11,14H,1-9,12H2,(H2,18,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.790n/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50258990
PNG
(CHEMBL4090426)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C21H23N5O5S2/c27-20(22-12-15-1-6-18-19(11-15)31-14-30-18)13-33-21(32)23-25-9-7-24(8-10-25)16-2-4-17(5-3-16)26(28)29/h1-6,11H,7-10,12-14H2,(H,22,27)(H,23,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.799n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase-2


Eur J Med Chem 125: 190-196 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50258994
PNG
(CHEMBL4072105)
Show SMILES CCN1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C17H24N4O3S2/c1-2-20-5-7-21(8-6-20)19-17(25)26-11-16(22)18-10-13-3-4-14-15(9-13)24-12-23-14/h3-4,9H,2,5-8,10-12H2,1H3,(H,18,22)(H,19,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.802n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase-2


Eur J Med Chem 125: 190-196 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM13077
PNG
(5-(thiophene-2-sulfonyl)thiophene-2-sulfonamide | ...)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C8H7NO4S4/c9-17(12,13)8-4-3-7(15-8)16(10,11)6-2-1-5-14-6/h1-5H,(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.810n/an/an/an/a7.425



University of Marburg



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 45: 3588-602 (2002)


Article DOI: 10.1021/jm011112j
BindingDB Entry DOI: 10.7270/Q2RJ4GQP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11394
PNG
(2-[2-(4-Morpholinyl)ethyl]-2H-thieno[3,2-e]-1,2-th...)
Show SMILES NS(=O)(=O)c1cc2C=CN(CCN3CCOCC3)S(=O)(=O)c2s1
Show InChI InChI=1S/C12H17N3O5S3/c13-22(16,17)11-9-10-1-2-15(23(18,19)12(10)21-11)4-3-14-5-7-20-8-6-14/h1-2,9H,3-8H2,(H2,13,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.820n/an/an/an/a7.24



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50258996
PNG
(CHEMBL4069396)
Show SMILES O=C(CSC(=S)NN1CCN(CC1)c1ncccn1)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C19H22N6O3S2/c26-17(22-11-14-2-3-15-16(10-14)28-13-27-15)12-30-19(29)23-25-8-6-24(7-9-25)18-20-4-1-5-21-18/h1-5,10H,6-9,11-13H2,(H,22,26)(H,23,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.855n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase-2


Eur J Med Chem 125: 190-196 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM13068
PNG
(0049-01 | 5-(thiophen-2-ylsulfanyl)thiophene-2-sul...)
Show SMILES NS(=O)(=O)c1ccc(Sc2cccs2)s1
Show InChI InChI=1S/C8H7NO2S4/c9-15(10,11)8-4-3-7(14-8)13-6-2-1-5-12-6/h1-5H,(H2,9,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.890n/an/an/an/a7.425



University of Marburg



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 45: 3588-602 (2002)


Article DOI: 10.1021/jm011112j
BindingDB Entry DOI: 10.7270/Q2RJ4GQP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11393
PNG
(2-[2-[Bis(2-methoxyethyl)amino]ethyl]-2H-thieno[3,...)
Show SMILES COCCN(CCOC)CCN1C=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H23N3O6S3/c1-22-9-7-16(8-10-23-2)5-6-17-4-3-12-11-13(25(15,18)19)24-14(12)26(17,20)21/h3-4,11H,5-10H2,1-2H3,(H2,15,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.910n/an/an/an/a7.24



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11395
PNG
(2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,1-dioxo-2H-1...)
Show SMILES CC(=O)N1CCN(CCN2C=Cc3cc(sc3S2(=O)=O)S(N)(=O)=O)CC1
Show InChI InChI=1S/C14H20N4O5S3/c1-11(19)17-7-4-16(5-8-17)6-9-18-3-2-12-10-13(25(15,20)21)24-14(12)26(18,22)23/h2-3,10H,4-9H2,1H3,(H2,15,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.960n/an/an/an/a7.24



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11405
PNG
(2-Ethyl-3-[[bis(2-hydroxyethyl)amino]methyl]-2H-th...)
Show SMILES CCN1C(CN(CCO)CCO)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H21N3O6S3/c1-2-16-11(9-15(3-5-17)4-6-18)7-10-8-12(24(14,19)20)23-13(10)25(16,21)22/h7-8,17-18H,2-6,9H2,1H3,(H2,14,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11411
PNG
(2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...)
Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CC=C)S(=O)(=O)c2s1
Show InChI InChI=1S/C14H19N3O5S3/c1-2-3-17-12(10-16-4-6-22-7-5-16)8-11-9-13(24(15,18)19)23-14(11)25(17,20)21/h2,8-9H,1,3-7,10H2,(H2,15,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.990n/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11401
PNG
(2-Ethyl-3-[[bis(2-methoxyethyl)amino]methyl]-2H-th...)
Show SMILES CCN1C(CN(CCOC)CCOC)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C15H25N3O6S3/c1-4-18-13(11-17(5-7-23-2)6-8-24-3)9-12-10-14(26(16,19)20)25-15(12)27(18,21)22/h9-10H,4-8,11H2,1-3H3,(H2,16,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.04n/an/an/an/a7.24



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11422
PNG
(2-(3,4-Dimethoxyphenyl)-3-[(4-morpholinyl)methyl]-...)
Show SMILES COc1ccc(cc1OC)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C19H23N3O7S3/c1-27-16-4-3-14(11-17(16)28-2)22-15(12-21-5-7-29-8-6-21)9-13-10-18(31(20,23)24)30-19(13)32(22,25)26/h3-4,9-11H,5-8,12H2,1-2H3,(H2,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05n/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11400
PNG
(2-Ethyl-3-[(4-morpholinyl)methyl]-2H-thieno[3,2-e]...)
Show SMILES CCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H19N3O5S3/c1-2-16-11(9-15-3-5-21-6-4-15)7-10-8-12(23(14,17)18)22-13(10)24(16,19)20/h7-8H,2-6,9H2,1H3,(H2,14,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.11n/an/an/an/a7.24



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11399
PNG
(2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...)
Show SMILES COCCN(CC=C)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O
Show InChI InChI=1S/C14H21N3O5S3/c1-4-5-17(6-7-22-3)10-12-8-11-9-13(24(15,18)19)23-14(11)25(20,21)16(12)2/h4,8-9H,1,5-7,10H2,2-3H3,(H2,15,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.11n/an/an/an/a7.24



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11390
PNG
(2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...)
Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3cccc(O)c3)S(=O)(=O)c2s1
Show InChI InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 1.15n/an/an/an/a7.24



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11421
PNG
(2-(3-Methoxyphenyl)-3-[(2-hydroxyethylamino)methyl...)
Show SMILES COc1cccc(c1)N1C(CNCCO)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O6S3/c1-25-14-4-2-3-12(9-14)19-13(10-18-5-6-20)7-11-8-15(27(17,21)22)26-16(11)28(19,23)24/h2-4,7-9,18,20H,5-6,10H2,1H3,(H2,17,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.16n/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Displayed 1 to 50 (of 1075 total )  |  Next  |  Last  >>
Jump to: