BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 180.1
BDBM4375
Purchase
Wt: 164.1
BDBM4374
Purchase
Wt: 236.1
BDBM16312
Purchase
Wt: 270.2
BDBM50029198
Purchase
Wt: 241.2
BDBM50134036
Purchase
Wt: 258.2
BDBM50337281
Wt: 255.2
BDBM50337282
Purchase
Wt: 269.3
BDBM50337286
Wt: 268.3
BDBM50362833
Wt: 252.3
BDBM50362834
Purchase
Wt: 232.2
BDBM50362837
Wt: 206.2
BDBM50362849
Wt: 254.2
BDBM50362850
Wt: 268.3
BDBM50362851
Wt: 260.2
BDBM50080464
Purchase
Displayed 1 to 15 (of 97 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 277 hits in this display   
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
Aldose reductase


(Rattus norvegicus)
BDBM50080464
PNG
(ALR2 inhibitor, 12 | CHEMBL1405739)
Show SMILES OC(=O)Cn1c2ccccc2c2nnc(S)nc12
Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate by double reciprocal plot analysis


J Med Chem 58: 2649-57 (2015)


Article DOI: 10.1021/jm5015814
BindingDB Entry DOI: 10.7270/Q2WS8VZJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134036
PNG
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)
Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
160n/an/an/an/an/an/an/an/a



Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database




Am J Med 104: 413-21 (1998)


BindingDB Entry DOI: 10.7270/Q2F18X97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50134036
PNG
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)
Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
220n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1C2 assessed as 1-acenaphthenol oxidation by spectrophotometry


J Med Chem 55: 7417-24 (2012)


Article DOI: 10.1021/jm300841n
BindingDB Entry DOI: 10.7270/Q2125TR9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50134036
PNG
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)
Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
300n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry


J Med Chem 55: 7417-24 (2012)


Article DOI: 10.1021/jm300841n
BindingDB Entry DOI: 10.7270/Q2125TR9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50362849
PNG
(CHEMBL1940391)
Show SMILES CC(C)OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C12H14O3/c1-9(2)15-12(14)8-5-10-3-6-11(13)7-4-10/h3-9,13H,1-2H3/b8-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
520n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 21: 1564-9 (2013)


Article DOI: 10.1016/j.bmc.2012.05.019
BindingDB Entry DOI: 10.7270/Q29888CF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50362849
PNG
(CHEMBL1940391)
Show SMILES CC(C)OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C12H14O3/c1-9(2)15-12(14)8-5-10-3-6-11(13)7-4-10/h3-9,13H,1-2H3/b8-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
540n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 21: 1564-9 (2013)


Article DOI: 10.1016/j.bmc.2012.05.019
BindingDB Entry DOI: 10.7270/Q29888CF
More data for this
Ligand-Target Pair
β-Carbonic anhydrase 3 (CA 3)


(Mycobacterium tuberculosis)
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
570 -35.6n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 392-6 (2013)


Article DOI: 10.3109/14756366.2011.650168
BindingDB Entry DOI: 10.7270/Q2RF5SZW
More data for this
Ligand-Target Pair
β-Carbonic anhydrase 2 (CA 2)


(Mycobacterium tuberculosis)
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
590 -35.6n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 392-6 (2013)


Article DOI: 10.3109/14756366.2011.650168
BindingDB Entry DOI: 10.7270/Q2RF5SZW
More data for this
Ligand-Target Pair
β-Carbonic anhydrase 3 (CA 3)


(Mycobacterium tuberculosis)
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
600 -35.5n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 392-6 (2013)


Article DOI: 10.3109/14756366.2011.650168
BindingDB Entry DOI: 10.7270/Q2RF5SZW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50362849
PNG
(CHEMBL1940391)
Show SMILES CC(C)OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C12H14O3/c1-9(2)15-12(14)8-5-10-3-6-11(13)7-4-10/h3-9,13H,1-2H3/b8-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
680n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 21: 1564-9 (2013)


Article DOI: 10.1016/j.bmc.2012.05.019
BindingDB Entry DOI: 10.7270/Q29888CF
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50362849
PNG
(CHEMBL1940391)
Show SMILES CC(C)OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C12H14O3/c1-9(2)15-12(14)8-5-10-3-6-11(13)7-4-10/h3-9,13H,1-2H3/b8-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
690n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1564-9 (2013)


Article DOI: 10.1016/j.bmc.2012.05.019
BindingDB Entry DOI: 10.7270/Q29888CF
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50362849
PNG
(CHEMBL1940391)
Show SMILES CC(C)OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C12H14O3/c1-9(2)15-12(14)8-5-10-3-6-11(13)7-4-10/h3-9,13H,1-2H3/b8-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1564-9 (2013)


Article DOI: 10.1016/j.bmc.2012.05.019
BindingDB Entry DOI: 10.7270/Q29888CF
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50362849
PNG
(CHEMBL1940391)
Show SMILES CC(C)OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C12H14O3/c1-9(2)15-12(14)8-5-10-3-6-11(13)7-4-10/h3-9,13H,1-2H3/b8-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
760n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 21: 1564-9 (2013)


Article DOI: 10.1016/j.bmc.2012.05.019
BindingDB Entry DOI: 10.7270/Q29888CF
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50134036
PNG
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)
Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
810n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation by spectrophotometry


J Med Chem 55: 7417-24 (2012)


Article DOI: 10.1021/jm300841n
BindingDB Entry DOI: 10.7270/Q2125TR9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
810n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
860n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
970n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
980n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.07E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134036
PNG
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)
Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
β-Carbonic anhydrase 2 (CA 2)


(Mycobacterium tuberculosis)
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.56E+3 -33.1n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 392-6 (2013)


Article DOI: 10.3109/14756366.2011.650168
BindingDB Entry DOI: 10.7270/Q2RF5SZW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.61E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50134036
PNG
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)
Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
1.94E+3n/an/an/an/an/an/an/an/a



Dallas Department of Veterans Affairs Medical Center

Curated by PDSP Ki Database




Am J Med 104: 413-21 (1998)


BindingDB Entry DOI: 10.7270/Q2F18X97
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.38E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134036
PNG
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)
Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.03E+3 -31.5n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 392-6 (2013)


Article DOI: 10.3109/14756366.2011.650168
BindingDB Entry DOI: 10.7270/Q2RF5SZW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5.23E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA7 by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5.33E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5.92E+3 -29.8n/an/an/an/an/a7.525



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 392-6 (2013)


Article DOI: 10.3109/14756366.2011.650168
BindingDB Entry DOI: 10.7270/Q2RF5SZW
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5.96E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA5A by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.42E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA7 by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.49E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA5A by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA14 by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.72E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA6 by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
7.33E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA6 by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
7.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA3 by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
7.76E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA5B by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
7.87E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
8.01E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
8.01E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
8.71E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA14 by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
8.71E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.92E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
9.06E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
9.06E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
9.08E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA5B by stopped-flow CO2 hydration assay


Bioorg Med Chem 18: 2159-64 (2010)


Article DOI: 10.1016/j.bmc.2010.01.076
BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 277 total )  |  Next  |  Last  >>

Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this search
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Aldose Reductase (ALR2) Mutant (L300P)

(Homo sapiens (human))
BDBM16312
JPEG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-38.77.99-46.76.79824.9



UMR 7104 du CNRS





J Med Chem 48: 5659-65 (2005)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16312
JPEG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-37.913.9-51.86.65824.9



UMR 7104 du CNRS





J Med Chem 48: 5659-65 (2005)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16312
JPEG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-37.9n/an/a6.65n/a24.9



Philipps-University Marburg





J Mol Biol 356: 45-56 (2006)