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Compile Data Set for Download or QSAR

Found 3335 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515869
PNG
(CHEMBL4577408)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN3O5S/c21-14-4-2-13(3-5-14)19-17(20(27)23-10-1-11-25)12-18(26)24(19)15-6-8-16(9-7-15)30(22,28)29/h2-9,17,19,25H,1,10-12H2,(H,23,27)(H2,22,28,29)/t17-,19+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515853
PNG
(CHEMBL4573177)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3O6S/c21-13-3-1-12(2-4-13)19-16(20(28)23-10-9-18(26)27)11-17(25)24(19)14-5-7-15(8-6-14)31(22,29)30/h1-8,16,19H,9-11H2,(H,23,28)(H,26,27)(H2,22,29,30)/t16-,19+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50547697
PNG
(CHEMBL4739913)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1
Show InChI InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14)
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0.360n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as...


J Med Chem 63: 13064-13075 (2020)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50331834
PNG
(5-butyramido-2-sulfamoyl-1,3,4-thiadiazole | CHEMB...)
Show SMILES CCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
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0.370n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as...


J Med Chem 63: 13064-13075 (2020)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515868
PNG
(CHEMBL4521611)
Show SMILES CN1CCN(CCCNC(=O)[C@H]2CC(=O)N([C@@H]2c2ccc(Cl)cc2)c2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C25H32ClN5O4S/c1-29-13-15-30(16-14-29)12-2-11-28-25(33)22-17-23(32)31(24(22)18-3-5-19(26)6-4-18)20-7-9-21(10-8-20)36(27,34)35/h3-10,22,24H,2,11-17H2,1H3,(H,28,33)(H2,27,34,35)/t22-,24+/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM16668
PNG
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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0.430n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as...


J Med Chem 63: 13064-13075 (2020)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50331835
PNG
(5-(2-methyl-propylamido)-2-sulfamoyl-1,3,4-thiadia...)
Show SMILES CC(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11)
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0.440n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as...


J Med Chem 63: 13064-13075 (2020)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230195
PNG
(CHEMBL4100903)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCCOc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C24H27NO4/c1-16(2)14-18-4-6-19(7-5-18)17(3)24(27)25-12-13-28-21-9-10-22-20(15-21)8-11-23(26)29-22/h4-11,15-17H,12-14H2,1-3H3,(H,25,27)
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0.440n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515873
PNG
(CHEMBL4586855)
Show SMILES CN(C)CCCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H27ClN4O4S/c1-26(2)13-3-12-25-22(29)19-14-20(28)27(21(19)15-4-6-16(23)7-5-15)17-8-10-18(11-9-17)32(24,30)31/h4-11,19,21H,3,12-14H2,1-2H3,(H,25,29)(H2,24,30,31)/t19-,21+/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209283
PNG
(CHEMBL3885230)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H](N(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H24N2O6S/c1-30-18-9-4-15(5-10-18)22-23(16-6-13-20(31-2)21(14-16)32-3)26(24(22)27)17-7-11-19(12-8-17)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515874
PNG
(CHEMBL4550339)
Show SMILES CC(=O)OCCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H22ClN3O6S/c1-13(26)31-11-10-24-21(28)18-12-19(27)25(20(18)14-2-4-15(22)5-3-14)16-6-8-17(9-7-16)32(23,29)30/h2-9,18,20H,10-12H2,1H3,(H,24,28)(H2,23,29,30)/t18-,20+/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50087247
PNG
(5-{4-[(7-Chloro-2-oxo-2H-chromen-4-ylmethyl)-amino...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16ClN5O6S3/c1-25-18(32-19(23-25)33(21,27)28)24-34(29,30)14-5-3-13(4-6-14)22-10-11-8-17(26)31-16-9-12(20)2-7-15(11)16/h2-9,22H,10H2,1H3,(H2,21,27,28)/b24-18-
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine Carbonic anhydrase IV determined by esterase method


Bioorg Med Chem Lett 10: 673-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00075-5
BindingDB Entry DOI: 10.7270/Q2RV0P61
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515843
PNG
(CHEMBL4446872)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClN4O5S/c24-17-3-1-16(2-4-17)22-20(23(30)26-9-10-27-11-13-33-14-12-27)15-21(29)28(22)18-5-7-19(8-6-18)34(25,31)32/h1-8,20,22H,9-15H2,(H,26,30)(H2,25,31,32)/t20-,22+/m0/s1
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0.610n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209288
PNG
(CHEMBL3885451)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C24H24N2O6S/c1-30-19-13-16(14-20(31-2)23(19)32-3)22-21(15-7-5-4-6-8-15)24(27)26(22)17-9-11-18(12-10-17)33(25,28)29/h4-14,21-22H,1-3H3,(H2,25,28,29)/t21-,22-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209225
PNG
(CHEMBL3883807)
Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1
Show InChI InChI=1S/C22H22N2O6S2/c1-28-14-11-16(29-2)19(17(12-14)30-3)21-20(18-5-4-10-31-18)22(25)24(21)13-6-8-15(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/t20-,21-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515878
PNG
(CHEMBL4569748)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN3O6S/c20-12-3-1-11(2-4-12)18-15(19(27)22-10-17(25)26)9-16(24)23(18)13-5-7-14(8-6-13)30(21,28)29/h1-8,15,18H,9-10H2,(H,22,27)(H,25,26)(H2,21,28,29)/t15-,18+/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515877
PNG
(CHEMBL4462700)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCn1ccnc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O4S/c24-17-4-2-16(3-5-17)22-20(23(31)27-10-1-12-28-13-11-26-15-28)14-21(30)29(22)18-6-8-19(9-7-18)34(25,32)33/h2-9,11,13,15,20,22H,1,10,12,14H2,(H,27,31)(H2,25,32,33)/t20-,22+/m0/s1
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0.660n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230205
PNG
(CHEMBL4088636)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C25H23NO5/c1-16(17-3-4-19-14-21(29-2)7-5-18(19)13-17)25(28)26-11-12-30-22-8-9-23-20(15-22)6-10-24(27)31-23/h3-10,13-16H,11-12H2,1-2H3,(H,26,28)/t16-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50331833
PNG
(5-propylamido-2-sulfamoyl-1,3,4-thiadiazole | CHEM...)
Show SMILES CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)
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0.780n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as...


J Med Chem 63: 13064-13075 (2020)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230197
PNG
(CHEMBL4060402)
Show SMILES O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C26H22N2O5/c29-24-11-6-18-16-19(7-10-23(18)33-24)32-15-13-27-26(31)20-12-14-28-21(20)8-9-22(28)25(30)17-4-2-1-3-5-17/h1-11,16,20H,12-15H2,(H,27,31)
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0.790n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50080684
PNG
(5-(4-aminophenylsulfonylimino)-4-methyl-4,5-dihydr...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8-
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 10: 1117-20 (2000)


Article DOI: 10.1016/s0960-894x(00)00178-5
BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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0.800n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230196
PNG
(CHEMBL4096350)
Show SMILES CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C26H22FNO4/c1-17(19-7-10-22(23(27)16-19)18-5-3-2-4-6-18)26(30)28-13-14-31-21-9-11-24-20(15-21)8-12-25(29)32-24/h2-12,15-17H,13-14H2,1H3,(H,28,30)
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0.810n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515846
PNG
(CHEMBL4586708)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCN1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29ClN4O4S/c25-18-6-4-17(5-7-18)23-21(24(31)27-12-3-15-28-13-1-2-14-28)16-22(30)29(23)19-8-10-20(11-9-19)34(26,32)33/h4-11,21,23H,1-3,12-16H2,(H,27,31)(H2,26,32,33)/t21-,23+/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515848
PNG
(CHEMBL4476050)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O5S/c20-13-3-1-12(2-4-13)18-16(19(26)22-9-10-24)11-17(25)23(18)14-5-7-15(8-6-14)29(21,27)28/h1-8,16,18,24H,9-11H2,(H,22,26)(H2,21,27,28)/t16-,18+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209282
PNG
(CHEMBL3883491)
Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-21(32-3)20(31-2)13-18(19)23-22(15-7-5-4-6-8-15)24(27)26(23)16-9-11-17(12-10-16)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515866
PNG
(CHEMBL4593200)
Show SMILES COC(=O)CCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H22ClN3O6S/c1-31-19(27)10-11-24-21(28)17-12-18(26)25(20(17)13-2-4-14(22)5-3-13)15-6-8-16(9-7-15)32(23,29)30/h2-9,17,20H,10-12H2,1H3,(H,24,28)(H2,23,29,30)/t17-,20+/m0/s1
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1n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515865
PNG
(CHEMBL4440330)
Show SMILES CN(C)CCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H25ClN4O4S/c1-25(2)12-11-24-21(28)18-13-19(27)26(20(18)14-3-5-15(22)6-4-14)16-7-9-17(10-8-16)31(23,29)30/h3-10,18,20H,11-13H2,1-2H3,(H,24,28)(H2,23,29,30)/t18-,20+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50088778
PNG
(CHEMBL275565 | N,N-dialkylthio-carbonylsulfenylami...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N6O5S5/c1-19-12(27-13(16-19)29(15,21)22)18-30(23,24)11-4-2-10(3-5-11)17-28-14(26)20-6-8-25-9-7-20/h2-5,17H,6-9H2,1H3,(H2,15,21,22)/b18-12+
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 10: 1117-20 (2000)


Article DOI: 10.1016/s0960-894x(00)00178-5
BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515867
PNG
(CHEMBL4475435)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCN1CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29ClN4O5S/c25-18-4-2-17(3-5-18)23-21(24(31)27-10-1-11-28-12-14-34-15-13-28)16-22(30)29(23)19-6-8-20(9-7-19)35(26,32)33/h2-9,21,23H,1,10-16H2,(H,27,31)(H2,26,32,33)/t21-,23+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50369931
PNG
(CHEMBL4167555)
Show SMILES CN1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...


Eur J Med Chem 151: 363-375 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.002
BindingDB Entry DOI: 10.7270/Q25H7JTC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515559
PNG
(CHEMBL4435078)
Show SMILES Cc1ccc([Te]CC(O)COc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19NO4STe/c1-12-2-8-16(9-3-12)23-11-13(18)10-21-14-4-6-15(7-5-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20)
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1.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111586
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM11631
PNG
(2-N-(4-amino-3,5-dibromobenzene)-1,3,4-thiadiazole...)
Show SMILES Nc1c(Br)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7Br2N5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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1.70n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209290
PNG
(CHEMBL3883755)
Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C24H24N2O6S/c1-30-17-13-19(31-2)22(20(14-17)32-3)23-21(15-7-5-4-6-8-15)24(27)26(23)16-9-11-18(12-10-16)33(25,28)29/h4-14,21,23H,1-3H3,(H2,25,28,29)/t21-,23+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515875
PNG
(CHEMBL4469501)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3O6S/c22-14-5-3-13(4-6-14)20-17(21(29)24-11-1-2-19(27)28)12-18(26)25(20)15-7-9-16(10-8-15)32(23,30)31/h3-10,17,20H,1-2,11-12H2,(H,24,29)(H,27,28)(H2,23,30,31)/t17-,20+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515871
PNG
(CHEMBL4457120)
Show SMILES CC(=O)OCCCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H24ClN3O6S/c1-14(27)32-12-2-11-25-22(29)19-13-20(28)26(21(19)15-3-5-16(23)6-4-15)17-7-9-18(10-8-17)33(24,30)31/h3-10,19,21H,2,11-13H2,1H3,(H,25,29)(H2,24,30,31)/t19-,21+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM11628
PNG
(2-N-(4-amino-3,5-dichlorobenzene)-1,3,4-thiadiazol...)
Show SMILES Nc1c(Cl)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7Cl2N5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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1.90n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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1.90n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM14722
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1
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2n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM11629
PNG
(2-N-(4-amino-3-bromo-5-chlorobenzene)-1,3,4-thiadi...)
Show SMILES Nc1c(Cl)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrClN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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2n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM11625
PNG
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)
Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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2n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50369884
PNG
(CHEMBL4172413)
Show SMILES CS(=O)(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H23N3O5S2/c1-28(24,25)21-11-12-22(17(14-21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)29(20,26)27/h2-10,17H,11-14H2,1H3,(H2,20,26,27)/t17-/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...


Eur J Med Chem 151: 363-375 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.002
BindingDB Entry DOI: 10.7270/Q25H7JTC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM14722
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1
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2 -48.8n/an/an/an/an/a7.420



Università degli Studi di Firenze



Assay Description
The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ...


J Enzyme Inhib Med Chem 19: 269-73 (2004)


Article DOI: 10.1080/14756360410001689559
BindingDB Entry DOI: 10.7270/Q20C4TBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50515845
PNG
(CHEMBL4450666)
Show SMILES COc1ccc(CNC(=O)[C@H]2CC(=O)N([C@@H]2c2ccc(Cl)cc2)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C25H24ClN3O5S/c1-34-20-10-2-16(3-11-20)15-28-25(31)22-14-23(30)29(24(22)17-4-6-18(26)7-5-17)19-8-12-21(13-9-19)35(27,32)33/h2-13,22,24H,14-15H2,1H3,(H,28,31)(H2,27,32,33)/t22-,24+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111642
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM14718
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(C)[n+](c(C)c1)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C16H18N5O4S3/c1-10-8-11(2)21(12(3)9-10)13-4-6-14(7-5-13)28(24,25)20-15-18-19-16(26-15)27(17,22)23/h4-9H,1-3H3,(H,18,20)(H2,17,22,23)/q+1
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2.10n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM11627
PNG
(β-CA inhibitor, 3 | 2-N-(4-amino-3-fluoro-5-i...)
Show SMILES Nc1c(F)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7FIN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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2.10n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM14723
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CCc1cc(cc(CC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C23H24N5O4S3/c1-3-18-14-17(16-8-6-5-7-9-16)15-19(4-2)28(18)20-10-12-21(13-11-20)35(31,32)27-22-25-26-23(33-22)34(24,29)30/h5-15H,3-4H2,1-2H3,(H,25,27)(H2,24,29,30)/q+1
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2.30n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50369819
PNG
(CHEMBL4163666)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...


Eur J Med Chem 151: 363-375 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.002
BindingDB Entry DOI: 10.7270/Q25H7JTC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50369730
PNG
(CHEMBL4164109)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C25H27N3O3S/c26-32(30,31)24-13-11-22(12-14-24)25(29)28-16-15-27(18-21-9-5-2-6-10-21)23(19-28)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,26,30,31)/t23-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...


Eur J Med Chem 151: 363-375 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.002
BindingDB Entry DOI: 10.7270/Q25H7JTC
More data for this
Ligand-Target Pair
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