BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 416 hits with Last Name = 'al-rashood' and Initial = 'st'   
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))
BDBM50520843
PNG
(CHEMBL4585732)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3cccc(F)c3)c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C28H21BrFN5O4S/c29-18-4-13-25-24(15-18)26(27(36)35(25)16-17-2-1-3-19(30)14-17)32-20-5-7-21(8-6-20)33-28(37)34-22-9-11-23(12-10-22)40(31,38)39/h1-15H,16H2,(H2,31,38,39)(H2,33,34,37)/b32-26-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582974
PNG
(CHEMBL5082587)
Show SMILES Cc1nc(C)c(nc1C)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50520838
PNG
(CHEMBL4579656)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3cccc(F)c3)c3ccccc23)cc1
Show InChI InChI=1S/C28H22FN5O4S/c29-19-5-3-4-18(16-19)17-34-25-7-2-1-6-24(25)26(27(34)35)31-20-8-10-21(11-9-20)32-28(36)33-22-12-14-23(15-13-22)39(30,37)38/h1-16H,17H2,(H2,30,37,38)(H2,32,33,36)/b31-26-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582963
PNG
(CHEMBL5075785)
Show SMILES Cc1nc(C)c(nc1C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
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
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
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
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50520834
PNG
(CHEMBL4533369)
Show SMILES Cc1ccc(CN2C(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C29H25N5O4S/c1-19-6-8-20(9-7-19)18-34-26-5-3-2-4-25(26)27(28(34)35)31-21-10-12-22(13-11-21)32-29(36)33-23-14-16-24(17-15-23)39(30,37)38/h2-17H,18H2,1H3,(H2,30,37,38)(H2,32,33,36)/b31-27-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591870
PNG
(CHEMBL5203094)
Show SMILES NS(=O)(=O)c1ccc(NCC\C(=N\CCO)c2ccccc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
5.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513674
PNG
(CHEMBL4458485)
Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50591870
PNG
(CHEMBL5203094)
Show SMILES NS(=O)(=O)c1ccc(NCC\C(=N\CCO)c2ccccc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
5.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
5.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50582959
PNG
(CHEMBL5087786)
Show SMILES Cc1nc(C)c(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)nc1C
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
6.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513674
PNG
(CHEMBL4458485)
Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582971
PNG
(CHEMBL5074754)
Show SMILES Cc1nc(C)c(nc1C)C(=O)OCC(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50591866
PNG
(CHEMBL5203184)
Show SMILES NS(=O)(=O)c1ccc(NNCCC(=O)c2ccc3ccccc3c2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50520842
PNG
(CHEMBL4547434)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3cccc(F)c3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C28H21ClFN5O4S/c29-18-4-13-25-24(15-18)26(27(36)35(25)16-17-2-1-3-19(30)14-17)32-20-5-7-21(8-6-20)33-28(37)34-22-9-11-23(12-10-22)40(31,38)39/h1-15H,16H2,(H2,31,38,39)(H2,33,34,37)/b32-26-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50520829
PNG
(CHEMBL4536441)
Show SMILES CCCN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H22ClN5O4S/c1-2-13-30-21-12-3-15(25)14-20(21)22(23(30)31)27-16-4-6-17(7-5-16)28-24(32)29-18-8-10-19(11-9-18)35(26,33)34/h3-12,14H,2,13H2,1H3,(H2,26,33,34)(H2,28,29,32)/b27-22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50582974
PNG
(CHEMBL5082587)
Show SMILES Cc1nc(C)c(nc1C)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50520829
PNG
(CHEMBL4536441)
Show SMILES CCCN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H22ClN5O4S/c1-2-13-30-21-12-3-15(25)14-20(21)22(23(30)31)27-16-4-6-17(7-5-16)28-24(32)29-18-8-10-19(11-9-18)35(26,33)34/h3-12,14H,2,13H2,1H3,(H2,26,33,34)(H2,28,29,32)/b27-22-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.20n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50520833
PNG
(CHEMBL4569077)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3ccc(cc3)C#N)c3ccccc23)cc1
Show InChI InChI=1S/C29H22N6O4S/c30-17-19-5-7-20(8-6-19)18-35-26-4-2-1-3-25(26)27(28(35)36)32-21-9-11-22(12-10-21)33-29(37)34-23-13-15-24(16-14-23)40(31,38)39/h1-16H,18H2,(H2,31,38,39)(H2,33,34,37)/b32-27-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50520844
PNG
(CHEMBL4586587)
Show SMILES CCCN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2ccccc12
Show InChI InChI=1S/C24H23N5O4S/c1-2-15-29-21-6-4-3-5-20(21)22(23(29)30)26-16-7-9-17(10-8-16)27-24(31)28-18-11-13-19(14-12-18)34(25,32)33/h3-14H,2,15H2,1H3,(H2,25,32,33)(H2,27,28,31)/b26-22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Kafrelsheikh University

Curated by ChEMBL


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


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582973
PNG
(CHEMBL5089724)
Show SMILES Cc1nc(C)c(nc1C)C(=O)Oc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50591868
PNG
(CHEMBL5195261)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNCCC(=O)c1ccc2ccccc2c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50520840
PNG
(CHEMBL4460842)
Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Br)ccc12
Show InChI InChI=1S/C22H18BrN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591863
PNG
(CHEMBL5204971)
Show SMILES NS(=O)(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
9.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50520834
PNG
(CHEMBL4533369)
Show SMILES Cc1ccc(CN2C(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C29H25N5O4S/c1-19-6-8-20(9-7-19)18-34-26-5-3-2-4-25(26)27(28(34)35)31-21-10-12-22(13-11-21)32-29(36)33-23-14-16-24(17-15-23)39(30,37)38/h2-17H,18H2,1H3,(H2,30,37,38)(H2,32,33,36)/b31-27-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.5n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50520841
PNG
(CHEMBL4467898)
Show SMILES CCCN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Br)ccc12
Show InChI InChI=1S/C24H22BrN5O4S/c1-2-13-30-21-12-3-15(25)14-20(21)22(23(30)31)27-16-4-6-17(7-5-16)28-24(32)29-18-8-10-19(11-9-18)35(26,33)34/h3-12,14H,2,13H2,1H3,(H2,26,33,34)(H2,28,29,32)/b27-22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.60n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50520833
PNG
(CHEMBL4569077)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3ccc(cc3)C#N)c3ccccc23)cc1
Show InChI InChI=1S/C29H22N6O4S/c30-17-19-5-7-20(8-6-19)18-35-26-4-2-1-3-25(26)27(28(35)36)32-21-9-11-22(12-10-21)33-29(37)34-23-13-15-24(16-14-23)40(31,38)39/h1-16H,18H2,(H2,31,38,39)(H2,33,34,37)/b32-27-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.70n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591870
PNG
(CHEMBL5203094)
Show SMILES NS(=O)(=O)c1ccc(NCC\C(=N\CCO)c2ccccc2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582967
PNG
(CHEMBL5080105)
Show SMILES Cc1nc(C)c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)nc1C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


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


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50582963
PNG
(CHEMBL5075785)
Show SMILES Cc1nc(C)c(nc1C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591860
PNG
(CHEMBL5201519)
Show SMILES NS(=O)(=O)c1ccc(NCCC(=O)c2ccccc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50582973
PNG
(CHEMBL5089724)
Show SMILES Cc1nc(C)c(nc1C)C(=O)Oc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50520840
PNG
(CHEMBL4460842)
Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Br)ccc12
Show InChI InChI=1S/C22H18BrN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50520830
PNG
(CHEMBL4460279)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3ccc(cc3)C#N)c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C29H21BrN6O4S/c30-20-5-14-26-25(15-20)27(28(37)36(26)17-19-3-1-18(16-31)2-4-19)33-21-6-8-22(9-7-21)34-29(38)35-23-10-12-24(13-11-23)41(32,39)40/h1-15H,17H2,(H2,32,39,40)(H2,34,35,38)/b33-27-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50582959
PNG
(CHEMBL5087786)
Show SMILES Cc1nc(C)c(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)nc1C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50582967
PNG
(CHEMBL5080105)
Show SMILES Cc1nc(C)c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)nc1C
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50591863
PNG
(CHEMBL5204971)
Show SMILES NS(=O)(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50582971
PNG
(CHEMBL5074754)
Show SMILES Cc1nc(C)c(nc1C)C(=O)OCC(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114008
BindingDB Entry DOI: 10.7270/Q2988BW0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50520844
PNG
(CHEMBL4586587)
Show SMILES CCCN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2ccccc12
Show InChI InChI=1S/C24H23N5O4S/c1-2-15-29-21-6-4-3-5-20(21)22(23(29)30)26-16-7-9-17(10-8-16)27-24(31)28-18-11-13-19(14-12-18)34(25,32)33/h3-14H,2,15H2,1H3,(H2,25,32,33)(H2,27,28,31)/b26-22-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50520831
PNG
(CHEMBL4459844)
Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2ccccc12
Show InChI InChI=1S/C22H19N5O4S/c1-27-19-5-3-2-4-18(19)20(21(27)28)24-14-6-8-15(9-7-14)25-22(29)26-16-10-12-17(13-11-16)32(23,30)31/h2-13H,1H3,(H2,23,30,31)(H2,25,26,29)/b24-20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


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


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50591864
PNG
(CHEMBL5183126)
Show SMILES NS(=O)(=O)c1ccc(CCNCCC(=O)c2ccccc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591864
PNG
(CHEMBL5183126)
Show SMILES NS(=O)(=O)c1ccc(CCNCCC(=O)c2ccccc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Eur J Med Chem 162: 147-160 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.068
BindingDB Entry DOI: 10.7270/Q2FB56BZ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 416 total )  |  Next  |  Last  >>
Jump to: