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Compile Data Set for Download or QSAR

Found 2257 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 4


(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)
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n/an/an/a 25n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 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 4


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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n/an/an/a 100n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 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 4


(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)
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n/an/an/a 160n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 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 4


(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)
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n/an/an/a 590n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 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 4


(Homo sapiens (human))
BDBM50031589
PNG
(CHEMBL3359179)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC1CCCCCCC1
Show InChI InChI=1S/C16H23F3N2O3S2/c17-11-12(18)16(26(20,23)24)14(13(19)15(11)25-9-8-22)21-10-6-4-2-1-3-5-7-10/h10,21-22H,1-9H2,(H2,20,23,24)
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n/an/an/a 1.70E+3n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 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 4


(Homo sapiens (human))
BDBM50031587
PNG
(CHEMBL3359180)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1NC1CCCCCCCCCCC1
Show InChI InChI=1S/C26H35F3N2O2S2/c27-21-22(28)26(35(30,32)33)24(23(29)25(21)34-18-17-19-13-9-8-10-14-19)31-20-15-11-6-4-2-1-3-5-7-12-16-20/h8-10,13-14,20,31H,1-7,11-12,15-18H2,(H2,30,32,33)
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n/an/an/a>2.00E+5n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 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 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 IV


(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


(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


(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 IV


(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 IV


(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 IV


(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))
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 IV


(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 IV


(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


(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 IV


(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 IV


(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 IV


(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 IV


(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 IV


(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 IV


(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 IV


(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 IV


(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 IV


(Bos taurus (bovine))
BDBM11632
PNG
(2-N-(4-amino-3-bromo-5-iodobenzene)-1,3,4-thiadiaz...)
Show SMILES Nc1c(Br)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrIN5O4S3/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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2.30n/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 IV


(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 IV


(Bos taurus (bovine))
BDBM11633
PNG
(2-N-(4-amino-3,5-diiodobenzene)-1,3,4-thiadiazole-...)
Show SMILES Nc1c(I)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7I2N5O4S3/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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2.30n/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 IV


(Bos taurus (bovine))
BDBM11623
PNG
(2-N-(4-amino-3-bromobenzene)-1,3,4-thiadiazole-2,5...)
Show SMILES Nc1ccc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8BrN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
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2.40n/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 IV


(Bos taurus (bovine))
BDBM11622
PNG
(β-CA inhibitor, 1 | 2-N-(4-amino-3-chlorobenz...)
Show SMILES Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8ClN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
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2.40n/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 IV


(Bos taurus (bovine))
BDBM14736
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(C)[n+](c(C)c1C)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N5O4S3/c1-10-9-11(2)22(13(4)12(10)3)14-5-7-15(8-6-14)29(25,26)21-16-19-20-17(27-16)28(18,23)24/h5-9H,1-4H3,(H,19,21)(H2,18,23,24)/q+1
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2.40n/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 IV


(Bos taurus (bovine))
BDBM11621
PNG
(2-N-(4-amino-3-fluorobenzene)-1,3,4-thiadiazole-2,...)
Show SMILES Nc1ccc(cc1F)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8FN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
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2.5n/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 IV


(Bos taurus (bovine))
BDBM11624
PNG
(2-N-(4-amino-3-iodobenzene)-1,3,4-thiadiazole-2,5-...)
Show SMILES Nc1ccc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8IN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
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2.5n/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 IV


(Bos taurus (bovine))
BDBM11630
PNG
(2-N-(4-amino-3-chloro-5-iodobenzene)-1,3,4-thiadia...)
Show SMILES Nc1c(Cl)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7ClIN5O4S3/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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2.70n/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 IV


(Bos taurus (bovine))
BDBM14719
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CC(C)c1cc(C)cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N5O4S3/c1-11(2)16-10-12(3)9-13(4)23(16)14-5-7-15(8-6-14)30(26,27)22-17-20-21-18(28-17)29(19,24)25/h5-11H,1-4H3,(H,20,22)(H2,19,24,25)/q+1
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3n/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 IV


(Bos taurus (bovine))
BDBM14727
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C26H22N5O4S3/c1-18-16-21(19-8-4-2-5-9-19)17-24(20-10-6-3-7-11-20)31(18)22-12-14-23(15-13-22)38(34,35)30-25-28-29-26(36-25)37(27,32)33/h2-17H,1H3,(H,28,30)(H2,27,32,33)/q+1
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3n/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 IV


(Bos taurus (bovine))
BDBM11427
PNG
(2-N-(4-methylbenzene)-1,3,4-thiadiazole-2,5-disulf...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N4O4S3/c1-6-2-4-7(5-3-6)20(16,17)13-8-11-12-9(18-8)19(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15)
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3n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on bovine Carbonic anhydrase IV


J Med Chem 45: 312-20 (2002)


Article DOI: 10.1021/jm0109199
BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50209285
PNG
(CHEMBL3884696)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C22H22N2O6S2/c1-28-16-11-13(12-17(29-2)21(16)30-3)20-19(18-5-4-10-31-18)22(25)24(20)14-6-8-15(9-7-14)32(23,26)27/h4-12,19-20H,1-3H3,(H2,23,26,27)/t19-,20-/m0/s1
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3.70n/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 IV


(Bos taurus (bovine))
BDBM14728
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C27H24N5O4S3/c1-2-22-17-21(19-9-5-3-6-10-19)18-25(20-11-7-4-8-12-20)32(22)23-13-15-24(16-14-23)39(35,36)31-26-29-30-27(37-26)38(28,33)34/h3-18H,2H2,1H3,(H,29,31)(H2,28,33,34)/q+1
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3.80n/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 IV


(Bos taurus (bovine))
BDBM11616
PNG
(5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-t...)
Show SMILES CC(=O)Nc1ccc(cc1F)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10FN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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4n/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 IV


(Bos taurus (bovine))
BDBM50108585
PNG
(3-[4-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C4CC(C=C4)C3C(O)=O)cc2)s1
Show InChI InChI=1S/C17H17N5O7S3/c18-31(26,27)17-21-20-16(30-17)22-32(28,29)11-5-3-10(4-6-11)19-14(23)12-8-1-2-9(7-8)13(12)15(24)25/h1-6,8-9,12-13H,7H2,(H,19,23)(H,20,22)(H,24,25)(H2,18,26,27)/t8?,9?,12-,13?/m1/s1
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4n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on bovine Carbonic anhydrase IV


J Med Chem 45: 312-20 (2002)


Article DOI: 10.1021/jm0109199
BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50097307
PNG
(CHEMBL408856 | [[2-(Carboxymethyl-{2-[carboxymethy...)
Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Oc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C28H31N7O14S4/c29-52(44,45)27-31-18-3-1-16(9-20(18)50-27)48-25(42)14-34(12-23(38)39)7-5-33(11-22(36)37)6-8-35(13-24(40)41)15-26(43)49-17-2-4-19-21(10-17)51-28(32-19)53(30,46)47/h1-4,9-10H,5-8,11-15H2,(H,36,37)(H,38,39)(H,40,41)(H2,29,44,45)(H2,30,46,47)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11616
PNG
(5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-t...)
Show SMILES CC(=O)Nc1ccc(cc1F)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10FN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11617
PNG
(5-(4-Acetamido-3-chlorobenzenesulfonamido)-1,3,4-t...)
Show SMILES CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10ClN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50088762
PNG
(CHEMBL13614 | N,N-dialkylthio-carbonylsulfenylamin...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)s1
Show InChI InChI=1S/C13H16N6O5S5/c14-28(20,21)12-16-15-11(26-12)18-29(22,23)10-3-1-9(2-4-10)17-27-13(25)19-5-7-24-8-6-19/h1-4,17H,5-8H2,(H,15,18)(H2,14,20,21)
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4n/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 IV


(Bos taurus (bovine))
BDBM50292100
PNG
(CHEMBL284354 | {{2-[2-(2-{Carboxymethyl-[(2-sulfam...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C28H34N8O12S4/c29-51(43,44)27-33-19-3-1-17(11-21(19)49-27)31-23(37)13-35(15-25(39)40)5-7-47-9-10-48-8-6-36(16-26(41)42)14-24(38)32-18-2-4-20-22(12-18)50-28(34-20)52(30,45)46/h1-4,11-12H,5-10,13-16H2,(H,31,37)(H,32,38)(H,39,40)(H,41,42)(H2,29,43,44)(H2,30,45,46)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11618
PNG
(5-(4-Acetamido-3-bromobenzenesulfonamido)-1,3,4-th...)
Show SMILES CC(=O)Nc1ccc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10BrN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50087265
PNG
(5-{4-[(7-Chloro-2-oxo-2H-chromen-4-ylmethyl)-amino...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)s1
Show InChI InChI=1S/C18H14ClN5O6S3/c19-11-1-6-14-10(7-16(25)30-15(14)8-11)9-21-12-2-4-13(5-3-12)33(28,29)24-17-22-23-18(31-17)32(20,26)27/h1-8,21H,9H2,(H,22,24)(H2,20,26,27)
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4n/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


(Homo sapiens (human))
BDBM50219174
PNG
(CHEMBL2112274)
Show SMILES [Zn++].NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)s1
Show InChI InChI=1S/C18H27N11O12S4.Zn/c19-44(38,39)17-25-23-15(42-17)21-10(30)5-28(8-13(34)35)3-1-27(7-12(32)33)2-4-29(9-14(36)37)6-11(31)22-16-24-26-18(43-16)45(20,40)41;/h1-9H2,(H,32,33)(H,34,35)(H,36,37)(H2,19,38,39)(H2,20,40,41)(H,21,23,30)(H,22,24,31);/q;+2/p-2
PDB
MMDB

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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards cloned human Dopamine receptor D2A using [3H]- Raclopride as radioligand.


Bioorg Med Chem Lett 11: 575-82 (2001)


Article DOI: 10.1016/s0960-894x(00)00722-8
BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
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