BindingDB logo
myBDB logout

10 molecules are shown

Wt: 243.2
BDBM50299578
Wt: 243.2
BDBM50299579
Wt: 257.2
BDBM50299580
Wt: 405.3
BDBM50299581
Wt: 405.3
BDBM50299582
Wt: 411.3
BDBM50299573
Wt: 411.3
BDBM50299574
Wt: 397.3
BDBM50299575
Wt: 699.6
BDBM50299576
Wt: 699.6
BDBM50299577

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 72 hits for monomerid = 50299578,50299579,50299580,50299581,50299582,50299573,50299574,50299575,50299576,50299577   
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


(Homo sapiens (human))
BDBM50299580
PNG
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.71E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
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
3.71E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/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
3.90E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/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
3.90E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299580
PNG
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/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
3.90E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/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
3.91E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/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
3.91E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/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
3.91E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299574
PNG
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/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
3.92E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299581
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.92E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
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
3.93E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299580
PNG
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.95E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299581
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/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
3.97E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299576
PNG
((1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26+/m1/s1
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
4.03E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/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
4.05E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/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
4.05E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299578
PNG
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/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
4.05E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299577
PNG
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/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
4.08E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299577
PNG
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/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
4.08E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299574
PNG
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/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
4.09E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299577
PNG
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/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
4.12E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299577
PNG
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/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
4.12E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/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
4.15E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299574
PNG
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/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
4.15E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299575
PNG
((2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-sulfamoylte...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H19NO11S/c1-5(15)22-8-9(23-6(2)16)11(24-7(3)17)13(26(14,19)20)25-10(8)12(18)21-4/h8-11,13H,1-4H3,(H2,14,19,20)/t8-,9-,10-,11+,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.15E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/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
4.15E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
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
4.19E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
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
4.19E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299581
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/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
4.19E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/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
4.22E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50299582
PNG
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/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
4.22E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299574
PNG
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/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
4.34E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299575
PNG
((2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-sulfamoylte...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H19NO11S/c1-5(15)22-8-9(23-6(2)16)11(24-7(3)17)13(26(14,19)20)25-10(8)12(18)21-4/h8-11,13H,1-4H3,(H2,14,19,20)/t8-,9-,10-,11+,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.34E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299574
PNG
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.35E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299575
PNG
((2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-sulfamoylte...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H19NO11S/c1-5(15)22-8-9(23-6(2)16)11(24-7(3)17)13(26(14,19)20)25-10(8)12(18)21-4/h8-11,13H,1-4H3,(H2,14,19,20)/t8-,9-,10-,11+,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.35E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299576
PNG
((1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
4.51E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/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
4.53E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/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
4.53E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50299573
PNG
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/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
4.53E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
4.55E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299579
PNG
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
4.55E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50299580
PNG
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.55E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50299576
PNG
((1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50299577
PNG
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.61E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 72 total )  |  Next  |  Last  >>