BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 30448 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase'   
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))
BDBM50163868
PNG
(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.00670n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assay


J Med Chem 59: 2083-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01723
BindingDB Entry DOI: 10.7270/Q2571DWK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50163860
PNG
(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F
Show InChI InChI=1S/C11H12F4N2O2S/c12-6-8(14)11(20(16,18)19)9(15)7(13)10(6)17-4-2-1-3-5-17/h1-5H2,(H2,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 0.0290n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assay


J Med Chem 59: 2083-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01723
BindingDB Entry DOI: 10.7270/Q2571DWK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429922
PNG
(CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCSc1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/a 0.0330n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assay


J Med Chem 59: 2083-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01723
BindingDB Entry DOI: 10.7270/Q2571DWK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429922
PNG
(CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCSc1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/a 0.0330n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50078671
PNG
(CHEMBL3415380)
Show SMILES CCN[C@H]1C[C@H](CCO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C11H17N3O7S3/c1-2-13-9-5-7(3-4-21-14(15)16)23(17,18)11-8(9)6-10(22-11)24(12,19)20/h6-7,9,13H,2-5H2,1H3,(H2,12,19,20)/t7-,9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.0340n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization ti...


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 0.0430n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization ti...


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50031588
PNG
(CHEMBL3359181)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(=O)(=O)CCO
Show InChI InChI=1S/C16H23F3N2O5S2/c17-11-12(18)16(27(23,24)9-8-22)14(13(19)15(11)28(20,25)26)21-10-6-4-2-1-3-5-7-10/h10,21-22H,1-9H2,(H2,20,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/a 0.0500n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 at pH7 and 37 degC by fluorescent thermal shift assay


J Med Chem 57: 9435-46 (2014)


Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429907
PNG
(CHEMBL2333397)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1F
Show InChI InChI=1S/C16H18F4N2O2S/c17-10-12(19)15(25(21,23)24)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16/h7-9,22H,1-6H2,(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0500n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429917
PNG
(CHEMBL2333816)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H7F4NO4S2/c13-7-9(15)12(23(17,20)21)10(16)8(14)11(7)22(18,19)6-4-2-1-3-5-6/h1-5H,(H2,17,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.0500n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429909
PNG
(CHEMBL2333409)
Show SMILES Cc1cc(C)c(CSc2c(F)c(F)c(c(F)c2F)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H15F4NO2S2/c1-7-4-8(2)10(9(3)5-7)6-24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18/h4-5H,6H2,1-3H3,(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.0670n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50163866
PNG
(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CC(C)(C)Nc1c(F)c(c(F)c(F)c1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C18H21F3N2O4S2/c1-18(2,3)23-15-14(21)16(29(22,26)27)12(19)13(20)17(15)28(24,25)10-9-11-7-5-4-6-8-11/h4-8,23H,9-10H2,1-3H3,(H2,22,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.0770n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assay


J Med Chem 59: 2083-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01723
BindingDB Entry DOI: 10.7270/Q2571DWK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50078672
PNG
(CHEMBL3415379)
Show SMILES CCN[C@H]1C[C@H](CCCO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H19N3O7S3/c1-2-14-10-6-8(4-3-5-22-15(16)17)24(18,19)12-9(10)7-11(23-12)25(13,20)21/h7-8,10,14H,2-6H2,1H3,(H2,13,20,21)/t8-,10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.0830n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization ti...


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.0890n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization ti...


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50078643
PNG
(CHEMBL3415383)
Show SMILES CCN[C@H]1CN(CCCO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C11H18N4O7S3/c1-2-13-9-7-14(4-3-5-22-15(16)17)25(20,21)11-8(9)6-10(23-11)24(12,18)19/h6,9,13H,2-5,7H2,1H3,(H2,12,18,19)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.0900n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization ti...


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429919
PNG
(CHEMBL2333814)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(NCCCCCC(O)=O)c(F)c1F
Show InChI InChI=1S/C12H14F4N2O4S/c13-7-9(15)12(23(17,21)22)10(16)8(14)11(7)18-5-3-1-2-4-6(19)20/h18H,1-5H2,(H,19,20)(H2,17,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.100n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11936
PNG
((4R)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo...)
Show SMILES CN[C@H]1CN(c2cccc(OC)c2)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/a 0.100n/an/an/a7.437



University of Pennsylvania



Assay Description
The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-E...


Protein Sci 7: 2483-9 (1998)


Article DOI: 10.1002/pro.5560071201
BindingDB Entry DOI: 10.7270/Q27W69FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11935
PNG
(2-(3-methoxyphenyl)-1,1-dioxo-2H,3H,4H-1,7,2-thien...)
Show SMILES COc1cccc(c1)N1CCc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H14N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/a 0.100n/an/an/a7.437



University of Pennsylvania



Assay Description
The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-E...


Protein Sci 7: 2483-9 (1998)


Article DOI: 10.1002/pro.5560071201
BindingDB Entry DOI: 10.7270/Q27W69FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429916
PNG
(CHEMBL2333402)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(Oc2ccccc2)c(F)c1F
Show InChI InChI=1S/C12H7F4NO3S/c13-7-9(15)12(21(17,18)19)10(16)8(14)11(7)20-6-4-2-1-3-5-6/h1-5H,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.100n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429899
PNG
(CHEMBL2333416)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F
Show InChI InChI=1S/C8H7F4NO3S2/c9-3-5(11)8(18(13,15)16)6(12)4(10)7(3)17-2-1-14/h14H,1-2H2,(H2,13,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.110n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429899
PNG
(CHEMBL2333416)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F
Show InChI InChI=1S/C8H7F4NO3S2/c9-3-5(11)8(18(13,15)16)6(12)4(10)7(3)17-2-1-14/h14H,1-2H2,(H2,13,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.110n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by fluorescent thermal shift assay


J Med Chem 57: 9435-46 (2014)


Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.130n/an/an/a7.437



University of Pennsylvania



Assay Description
The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-E...


Protein Sci 7: 2483-9 (1998)


Article DOI: 10.1002/pro.5560071201
BindingDB Entry DOI: 10.7270/Q27W69FK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429910
PNG
(CHEMBL2333408)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(N2CCOCC2)c(F)c1F
Show InChI InChI=1S/C10H10F4N2O3S/c11-5-7(13)10(20(15,17)18)8(14)6(12)9(5)16-1-3-19-4-2-16/h1-4H2,(H2,15,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.130n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429918
PNG
(CHEMBL2333815)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(Sc2ccccc2)c(F)c1F
Show InChI InChI=1S/C12H7F4NO2S2/c13-7-9(15)12(21(17,18)19)10(16)8(14)11(7)20-6-4-2-1-3-5-6/h1-5H,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.130n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11938
PNG
(2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE...)
Show SMILES COc1cccc(c1)N1C=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 0.130n/an/an/a7.437



University of Pennsylvania



Assay Description
The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-E...


Protein Sci 7: 2483-9 (1998)


Article DOI: 10.1002/pro.5560071201
BindingDB Entry DOI: 10.7270/Q27W69FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50078642
PNG
(CHEMBL3415384)
Show SMILES CCN[C@H]1CN(CCCO)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C11H19N3O5S3/c1-2-13-9-7-14(4-3-5-15)22(18,19)11-8(9)6-10(20-11)21(12,16)17/h6,9,13,15H,2-5,7H2,1H3,(H2,12,16,17)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.136n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization ti...


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11933
PNG
(3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIEN...)
Show SMILES COc1ccc(cc1)N1CC(O)c2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/a 0.160n/an/an/a7.437



University of Pennsylvania



Assay Description
The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-E...


Protein Sci 7: 2483-9 (1998)


Article DOI: 10.1002/pro.5560071201
BindingDB Entry DOI: 10.7270/Q27W69FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50031588
PNG
(CHEMBL3359181)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(=O)(=O)CCO
Show InChI InChI=1S/C16H23F3N2O5S2/c17-11-12(18)16(27(23,24)9-8-22)14(13(19)15(11)28(20,25)26)21-10-6-4-2-1-3-5-7-10/h10,21-22H,1-9H2,(H2,20,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.160n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 at pH7 and 37 degC by fluorescent thermal shift assay


J Med Chem 57: 9435-46 (2014)


Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50163859
PNG
(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.170n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assay


J Med Chem 59: 2083-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01723
BindingDB Entry DOI: 10.7270/Q2571DWK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429913
PNG
(CHEMBL2333405)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(NCCc2ccc(O)cc2)c(F)c1F
Show InChI InChI=1S/C14H12F4N2O3S/c15-9-11(17)14(24(19,22)23)12(18)10(16)13(9)20-6-5-7-1-3-8(21)4-2-7/h1-4,20-21H,5-6H2,(H2,19,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.170n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50078644
PNG
(CHEMBL3415382)
Show SMILES CCN[C@H]1C[C@H](CCCO)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H20N2O5S3/c1-2-14-10-6-8(4-3-5-15)21(16,17)12-9(10)7-11(20-12)22(13,18)19/h7-8,10,14-15H,2-6H2,1H3,(H2,13,18,19)/t8-,10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.170n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization ti...


J Med Chem 58: 2821-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00043
BindingDB Entry DOI: 10.7270/Q2QF8VM2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429900
PNG
(CHEMBL2333417)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCO
Show InChI InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.200n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by fluorescent thermal shift assay


J Med Chem 57: 9435-46 (2014)


Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50271035
PNG
((S)-4-(1-(1-(3-aza-bicyclo[3.2.2]nonan-3-yl)-3-met...)
Show SMILES CC(C)[C@@H](C(=O)N1CC2CCC(CC2)C1)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H29N5O3S/c1-14(2)20(21(27)25-11-15-3-4-16(12-25)6-5-15)26-13-19(23-24-26)17-7-9-18(10-8-17)30(22,28)29/h7-10,13-16,20H,3-6,11-12H2,1-2H3,(H2,22,28,29)/t15?,16?,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.200n/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase2


J Med Chem 51: 3661-80 (2008)


Article DOI: 10.1021/jm8000373
BindingDB Entry DOI: 10.7270/Q2N58M4H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50163866
PNG
(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CC(C)(C)Nc1c(F)c(c(F)c(F)c1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C18H21F3N2O4S2/c1-18(2,3)23-15-14(21)16(29(22,26)27)12(19)13(20)17(15)28(24,25)10-9-11-7-5-4-6-8-11/h4-8,23H,9-10H2,1-3H3,(H2,22,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.200n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assay


J Med Chem 59: 2083-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01723
BindingDB Entry DOI: 10.7270/Q2571DWK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429900
PNG
(CHEMBL2333417)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCO
Show InChI InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.200n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429921
PNG
(CHEMBL2333419)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCC(O)=O)c(F)c1F
Show InChI InChI=1S/C8H5F4NO4S2/c9-3-5(11)8(19(13,16)17)6(12)4(10)7(3)18-1-2(14)15/h1H2,(H,14,15)(H2,13,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.200n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429914
PNG
(CHEMBL2333404)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(NCc2ccccc2)c(F)c1F
Show InChI InChI=1S/C13H10F4N2O2S/c14-8-10(16)13(22(18,20)21)11(17)9(15)12(8)19-6-7-4-2-1-3-5-7/h1-5,19H,6H2,(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.200n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429912
PNG
(CHEMBL2333406)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1F
Show InChI InChI=1S/C14H11F4NO2S2/c15-9-11(17)14(23(19,20)21)12(18)10(16)13(9)22-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.200n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11932
PNG
(3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO...)
Show SMILES NS(=O)(=O)c1cc2C(O)CN(Cc3cccs3)S(=O)(=O)c2s1
Show InChI InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 0.200n/an/an/a7.437



University of Pennsylvania



Assay Description
The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-E...


Protein Sci 7: 2483-9 (1998)


Article DOI: 10.1002/pro.5560071201
BindingDB Entry DOI: 10.7270/Q27W69FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50429908
PNG
(CHEMBL2333411)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(Sc2nc3ccccc3s2)c(F)c1F
Show InChI InChI=1S/C13H6F4N2O2S3/c14-7-9(16)12(24(18,20)21)10(17)8(15)11(7)23-13-19-5-3-1-2-4-6(5)22-13/h1-4H,(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.220n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50429912
PNG
(CHEMBL2333406)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1F
Show InChI InChI=1S/C14H11F4NO2S2/c15-9-11(17)14(23(19,20)21)12(18)10(16)13(9)22-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.220n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50429908
PNG
(CHEMBL2333411)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(Sc2nc3ccccc3s2)c(F)c1F
Show InChI InChI=1S/C13H6F4N2O2S3/c14-7-9(16)12(24(18,20)21)10(17)8(15)11(7)23-13-19-5-3-1-2-4-6(5)22-13/h1-4H,(H2,18,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.25n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429911
PNG
(CHEMBL2333407)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.25n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429915
PNG
(CHEMBL2333403)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCc2ccccc2)c(F)c1F
Show InChI InChI=1S/C13H9F4NO2S2/c14-8-10(16)13(22(18,19)20)11(17)9(15)12(8)21-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.25n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50038965
PNG
(CHEMBL63396 | N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C15H9F15N2O3S/c16-9(17,5-32-8(33)6-1-3-7(4-2-6)36(31,34)35)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h1-4H,5H2,(H,32,33)(H2,31,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.300n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


J Med Chem 37: 2100-5 (1994)


Article DOI: 10.1021/jm00039a023
BindingDB Entry DOI: 10.7270/Q2TX3DDV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11934
PNG
((4R)-4-(ethylamino)-2-(2-methoxyethyl)-1,1-dioxo-2...)
Show SMILES CCN[C@H]1CN(CCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C11H19N3O5S3/c1-3-13-9-7-14(4-5-19-2)22(17,18)11-8(9)6-10(20-11)21(12,15)16/h6,9,13H,3-5,7H2,1-2H3,(H2,12,15,16)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/an/a 0.320n/an/an/a7.437



University of Pennsylvania



Assay Description
The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-E...


Protein Sci 7: 2483-9 (1998)


Article DOI: 10.1002/pro.5560071201
BindingDB Entry DOI: 10.7270/Q27W69FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50429922
PNG
(CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCSc1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.330n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assay


J Med Chem 59: 2083-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01723
BindingDB Entry DOI: 10.7270/Q2571DWK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429906
PNG
(CHEMBL2333398)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SC2=S=Nn3c2nc2ccccc32)c(F)c1F
Show InChI InChI=1S/C14H6F4N4O2S3/c15-7-9(17)12(27(19,23)24)10(18)8(16)11(7)25-14-13-20-5-3-1-2-4-6(5)22(13)21-26-14/h1-4H,(H2,19,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.400n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50429913
PNG
(CHEMBL2333405)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(NCCc2ccc(O)cc2)c(F)c1F
Show InChI InChI=1S/C14H12F4N2O3S/c15-9-11(17)14(24(19,22)23)12(18)10(16)13(9)20-6-5-7-1-3-8(21)4-2-7/h1-4,20-21H,5-6H2,(H2,19,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.400n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50429915
PNG
(CHEMBL2333403)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCc2ccccc2)c(F)c1F
Show InChI InChI=1S/C13H9F4NO2S2/c14-8-10(16)13(22(18,19)20)11(17)9(15)12(8)21-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.400n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50429911
PNG
(CHEMBL2333407)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.400n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 30448 total )  |  Next  |  Last  >>
Jump to: