BindingDB logo
myBDB logout

PubMed code 26810836

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334361
PNG
(4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
0.5n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334349
PNG
(4-(3-(3-nitrophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
0.900n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334361
PNG
(4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
3.30n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143994
PNG
(CHEMBL3759678)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1
Show InChI InChI=1S/C13H12IN3O2S2/c14-9-2-1-3-11(8-9)17-13(20)16-10-4-6-12(7-5-10)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334361
PNG
(4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
4.30n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
4.5n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
5.10n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
5.40n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
5.60n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334349
PNG
(4-(3-(3-nitrophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334352
PNG
(4-(3-cyclopentylureido)benzenesulfonamide | 4-[(cy...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334352
PNG
(4-(3-cyclopentylureido)benzenesulfonamide | 4-[(cy...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
7.30n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334361
PNG
(4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334349
PNG
(4-(3-(3-nitrophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
15n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334349
PNG
(4-(3-(3-nitrophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
23n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143994
PNG
(CHEMBL3759678)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1
Show InChI InChI=1S/C13H12IN3O2S2/c14-9-2-1-3-11(8-9)17-13(20)16-10-4-6-12(7-5-10)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PubMed
39n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
45n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
PubMed
50n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334352
PNG
(4-(3-cyclopentylureido)benzenesulfonamide | 4-[(cy...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
PubMed
226n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334352
PNG
(4-(3-cyclopentylureido)benzenesulfonamide | 4-[(cy...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
470n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
960n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143994
PNG
(CHEMBL3759678)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1
Show InChI InChI=1S/C13H12IN3O2S2/c14-9-2-1-3-11(8-9)17-13(20)16-10-4-6-12(7-5-10)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PubMed
1.03E+3n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143994
PNG
(CHEMBL3759678)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1
Show InChI InChI=1S/C13H12IN3O2S2/c14-9-2-1-3-11(8-9)17-13(20)16-10-4-6-12(7-5-10)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PubMed
4.86E+3n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
5.08E+3n/an/an/an/an/an/an/an/a



University of Florida College of Medicine

Curated by ChEMBL


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


Bioorg Med Chem 24: 976-81 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%