BindingDB logo
myBDB logout

PubMed code 26840366

Compile data set for download or QSAR
Found 72 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 12


(Homo sapiens (Human))
BDBM50147171
PNG
(CHEMBL3764657)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O5S/c1-31-16-8-11-19-18(12-16)20(22(28)26-19)24-14-4-2-13(3-5-14)21(27)25-15-6-9-17(10-7-15)32(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.470n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147167
PNG
(CHEMBL3764098)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.540n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147168
PNG
(CHEMBL3765057)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H15BrN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.580n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147170
PNG
(CHEMBL3765390)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O4S/c1-13-2-11-19-18(12-13)20(22(28)26-19)24-15-5-3-14(4-6-15)21(27)25-16-7-9-17(10-8-16)31(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.630n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147175
PNG
(CHEMBL3763750)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H16N6O6S/c22-34(32,33)16-8-5-14(6-9-16)25-21(29)24-13-3-1-12(2-4-13)23-19-17-11-15(27(30)31)7-10-18(17)26-20(19)28/h1-11H,(H2,22,32,33)(H,23,26,28)(H2,24,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
0.640n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50095119
PNG
(CHEMBL3589200)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.670n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147169
PNG
(CHEMBL3765409)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.690n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147166
PNG
(CHEMBL3763581)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H15FN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.690n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147164
PNG
(CHEMBL3764707)
Show SMILES Nc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O3S/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,14H2,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
0.710n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147188
PNG
(CHEMBL3764056)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O4S/c1-13-2-11-19-18(12-13)20(21(28)27-19)24-14-3-5-15(6-4-14)25-22(29)26-16-7-9-17(10-8-16)32(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147189
PNG
(CHEMBL3764810)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O5S/c1-32-16-8-11-19-18(12-16)20(21(28)27-19)24-13-2-4-14(5-3-13)25-22(29)26-15-6-9-17(10-7-15)33(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147165
PNG
(CHEMBL3765561)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H16N4O4S/c22-30(28,29)16-11-9-15(10-12-16)24-20(26)13-5-7-14(8-6-13)23-19-17-3-1-2-4-18(17)25-21(19)27/h1-12H,(H,24,26)(H2,22,28,29)(H,23,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147172
PNG
(CHEMBL3589744)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H17N5O4S/c22-31(29,30)16-11-9-15(10-12-16)25-21(28)24-14-7-5-13(6-8-14)23-19-17-3-1-2-4-18(17)26-20(19)27/h1-12H,(H2,22,29,30)(H,23,26,27)(H2,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
2.30n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147174
PNG
(CHEMBL3765128)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H16BrN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.30n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147163
PNG
(CHEMBL3765191)
Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H13N3O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,14H2,(H,16,17)(H2,15,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147173
PNG
(CHEMBL3589808)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H16FN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
2.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
4.90n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147166
PNG
(CHEMBL3763581)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H15FN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (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
5.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

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


(Homo sapiens (Human))
BDBM50147168
PNG
(CHEMBL3765057)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H15BrN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
7.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147166
PNG
(CHEMBL3763581)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H15FN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
7.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147168
PNG
(CHEMBL3765057)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H15BrN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
7.90n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147167
PNG
(CHEMBL3764098)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
8.40n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147170
PNG
(CHEMBL3765390)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O4S/c1-13-2-11-19-18(12-13)20(22(28)26-19)24-15-5-3-14(4-6-15)21(27)25-16-7-9-17(10-8-16)31(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
8.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147189
PNG
(CHEMBL3764810)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O5S/c1-32-16-8-11-19-18(12-16)20(21(28)27-19)24-13-2-4-14(5-3-13)25-22(29)26-15-6-9-17(10-7-15)33(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147166
PNG
(CHEMBL3763581)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H15FN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147170
PNG
(CHEMBL3765390)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O4S/c1-13-2-11-19-18(12-13)20(22(28)26-19)24-15-5-3-14(4-6-15)21(27)25-16-7-9-17(10-8-16)31(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
9.10n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147167
PNG
(CHEMBL3764098)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
9.20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147169
PNG
(CHEMBL3765409)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
9.90n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147169
PNG
(CHEMBL3765409)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
10n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

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


(Homo sapiens (Human))
BDBM50147171
PNG
(CHEMBL3764657)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O5S/c1-31-16-8-11-19-18(12-16)20(22(28)26-19)24-14-4-2-13(3-5-14)21(27)25-15-6-9-17(10-7-15)32(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147175
PNG
(CHEMBL3763750)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H16N6O6S/c22-34(32,33)16-8-5-14(6-9-16)25-21(29)24-13-3-1-12(2-4-13)23-19-17-11-15(27(30)31)7-10-18(17)26-20(19)28/h1-11H,(H2,22,32,33)(H,23,26,28)(H2,24,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
15n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147164
PNG
(CHEMBL3764707)
Show SMILES Nc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O3S/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,14H2,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
16n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147188
PNG
(CHEMBL3764056)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O4S/c1-13-2-11-19-18(12-13)20(21(28)27-19)24-14-3-5-15(6-4-14)25-22(29)26-16-7-9-17(10-8-16)32(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
17n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147163
PNG
(CHEMBL3765191)
Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H13N3O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,14H2,(H,16,17)(H2,15,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
28n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147171
PNG
(CHEMBL3764657)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O5S/c1-31-16-8-11-19-18(12-16)20(22(28)26-19)24-14-4-2-13(3-5-14)21(27)25-15-6-9-17(10-7-15)32(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
29n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147188
PNG
(CHEMBL3764056)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O4S/c1-13-2-11-19-18(12-13)20(21(28)27-19)24-14-3-5-15(6-4-14)25-22(29)26-16-7-9-17(10-8-16)32(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
33n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147188
PNG
(CHEMBL3764056)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O4S/c1-13-2-11-19-18(12-13)20(21(28)27-19)24-14-3-5-15(6-4-14)25-22(29)26-16-7-9-17(10-8-16)32(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
45n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147175
PNG
(CHEMBL3763750)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H16N6O6S/c22-34(32,33)16-8-5-14(6-9-16)25-21(29)24-13-3-1-12(2-4-13)23-19-17-11-15(27(30)31)7-10-18(17)26-20(19)28/h1-11H,(H2,22,32,33)(H,23,26,28)(H2,24,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
63n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147163
PNG
(CHEMBL3765191)
Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H13N3O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,14H2,(H,16,17)(H2,15,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
78n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50095119
PNG
(CHEMBL3589200)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
86n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147164
PNG
(CHEMBL3764707)
Show SMILES Nc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O3S/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,14H2,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
95n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147165
PNG
(CHEMBL3765561)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H16N4O4S/c22-30(28,29)16-11-9-15(10-12-16)24-20(26)13-5-7-14(8-6-13)23-19-17-3-1-2-4-18(17)25-21(19)27/h1-12H,(H,24,26)(H2,22,28,29)(H,23,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
96n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147165
PNG
(CHEMBL3765561)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H16N4O4S/c22-30(28,29)16-11-9-15(10-12-16)24-20(26)13-5-7-14(8-6-13)23-19-17-3-1-2-4-18(17)25-21(19)27/h1-12H,(H,24,26)(H2,22,28,29)(H,23,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
116n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147172
PNG
(CHEMBL3589744)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H17N5O4S/c22-31(29,30)16-11-9-15(10-12-16)25-21(28)24-14-7-5-13(6-8-14)23-19-17-3-1-2-4-18(17)26-20(19)27/h1-12H,(H2,22,29,30)(H,23,26,27)(H2,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
157n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147163
PNG
(CHEMBL3765191)
Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H13N3O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,14H2,(H,16,17)(H2,15,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
159n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147164
PNG
(CHEMBL3764707)
Show SMILES Nc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O3S/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,14H2,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
171n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147171
PNG
(CHEMBL3764657)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O5S/c1-31-16-8-11-19-18(12-16)20(22(28)26-19)24-14-4-2-13(3-5-14)21(27)25-15-6-9-17(10-7-15)32(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
175n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147174
PNG
(CHEMBL3765128)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H16BrN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
192n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147167
PNG
(CHEMBL3764098)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
194n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147170
PNG
(CHEMBL3765390)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O4S/c1-13-2-11-19-18(12-13)20(22(28)26-19)24-15-5-3-14(4-6-15)21(27)25-16-7-9-17(10-8-16)31(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
201n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147168
PNG
(CHEMBL3765057)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H15BrN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
208n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147172
PNG
(CHEMBL3589744)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H17N5O4S/c22-31(29,30)16-11-9-15(10-12-16)25-21(28)24-14-7-5-13(6-8-14)23-19-17-3-1-2-4-18(17)26-20(19)27/h1-12H,(H2,22,29,30)(H,23,26,27)(H2,24,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
217n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147173
PNG
(CHEMBL3589808)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H16FN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147169
PNG
(CHEMBL3765409)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
237n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50095119
PNG
(CHEMBL3589200)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
239n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147165
PNG
(CHEMBL3765561)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H16N4O4S/c22-30(28,29)16-11-9-15(10-12-16)24-20(26)13-5-7-14(8-6-13)23-19-17-3-1-2-4-18(17)25-21(19)27/h1-12H,(H,24,26)(H2,22,28,29)(H,23,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
240n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147189
PNG
(CHEMBL3764810)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O5S/c1-32-16-8-11-19-18(12-16)20(21(28)27-19)24-13-2-4-14(5-3-13)25-22(29)26-15-6-9-17(10-7-15)33(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
387n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147174
PNG
(CHEMBL3765128)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H16BrN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
462n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147173
PNG
(CHEMBL3589808)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H16FN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
585n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147172
PNG
(CHEMBL3589744)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H17N5O4S/c22-31(29,30)16-11-9-15(10-12-16)25-21(28)24-14-7-5-13(6-8-14)23-19-17-3-1-2-4-18(17)26-20(19)27/h1-12H,(H2,22,29,30)(H,23,26,27)(H2,24,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
679n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147189
PNG
(CHEMBL3764810)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O5S/c1-32-16-8-11-19-18(12-16)20(21(28)27-19)24-13-2-4-14(5-3-13)25-22(29)26-15-6-9-17(10-7-15)33(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
690n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147175
PNG
(CHEMBL3763750)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H16N6O6S/c22-34(32,33)16-8-5-14(6-9-16)25-21(29)24-13-3-1-12(2-4-13)23-19-17-11-15(27(30)31)7-10-18(17)26-20(19)28/h1-11H,(H2,22,32,33)(H,23,26,28)(H2,24,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
877n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147173
PNG
(CHEMBL3589808)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H16FN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
894n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50095119
PNG
(CHEMBL3589200)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.65E+3n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147174
PNG
(CHEMBL3765128)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H16BrN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)

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