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Compile Data Set for Download or QSAR

Found 445 hits of kd for UniProtKB: P00918   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84663
PNG
(Piperazine moiety, 3)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C16H20N4O2S/c17-23(21,22)16-3-1-15(2-4-16)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14/h1-8H,9-13H2,(H2,17,21,22)
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n/an/a 48 29n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84666
PNG
(Piperazine moiety, 6)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccncc1
Show InChI InChI=1S/C16H18N4O3S/c17-24(22,23)15-3-1-14(2-4-15)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2,(H2,17,22,23)
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n/an/a 72 100n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84665
PNG
(Piperazine moiety, 5)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CCO)CC1
Show InChI InChI=1S/C12H19N3O3S/c13-19(17,18)12-3-1-11(2-4-12)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2,(H2,13,17,18)
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n/an/a 137 208n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84662
PNG
(4-Fuloro sulfonamide, C)
Show SMILES NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
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n/an/a 203 435n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84664
PNG
(Piperazine moiety, 4)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C10H15N3O2S/c11-16(14,15)10-3-1-9(2-4-10)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H2,11,14,15)
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n/an/a 299 426n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13058
PNG
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)
Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1
Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)
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n/an/an/a 45n/an/an/a7.630



University of Bath



Assay Description
Dissociation constant of 667-coumate was measured for tight-binding inhibitors of CA II. The formation of the 4-nitrophenol was monitored at 348 nm f...


Biochemistry 44: 6858-66 (2005)


Article DOI: 10.1021/bi047692e
BindingDB Entry DOI: 10.7270/Q2125QVD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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n/an/an/a 660n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12415
PNG
(BR15 | copper(2+) ion 2-[(carboxylatomethyl)[(4-{[...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CN(CC([O-])=O)CC([O-])=O)cc2)cc1
Show InChI InChI=1S/C20H23N3O7S/c21-31(29,30)17-7-3-14(4-8-17)9-10-22-20(28)16-5-1-15(2-6-16)11-23(12-18(24)25)13-19(26)27/h1-8H,9-13H2,(H,22,28)(H,24,25)(H,26,27)(H2,21,29,30)/p-2
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n/an/an/a 235n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12416
PNG
(BR22 | copper(2+) ion 2-[(carboxylatomethyl)({[(3-...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)CN(CC([O-])=O)CC([O-])=O)c2)cc1
Show InChI InChI=1S/C21H24N4O8S/c22-34(32,33)17-6-4-14(5-7-17)8-9-23-21(31)15-2-1-3-16(10-15)24-18(26)11-25(12-19(27)28)13-20(29)30/h1-7,10H,8-9,11-13H2,(H,23,31)(H,24,26)(H,27,28)(H,29,30)(H2,22,32,33)/p-2
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n/an/an/a 80n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12417
PNG
(BR17 | copper(2+) ion 2-{2-carboxylato-12-[(4-sulf...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C17H25N3O9S/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24/h1-4H,5-12H2,(H,19,25)(H,21,22)(H,23,24)(H2,18,26,27)/p-2
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n/an/an/a 27n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12418
PNG
(BR30 | copper(2+) ion 2-[(carboxylatomethyl)({2-[(...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C13H17N3O7S/c14-24(22,23)10-3-1-9(2-4-10)13(21)15-5-6-16(7-11(17)18)8-12(19)20/h1-4H,5-8H2,(H,15,21)(H,17,18)(H,19,20)(H2,14,22,23)/p-2
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n/an/an/a 28n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11929
PNG
(2-N-[(4-methylphenyl)methyl]thiophene-2,5-disulfon...)
Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H14N2O4S3/c1-9-2-4-10(5-3-9)8-14-21(17,18)12-7-6-11(19-12)20(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
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n/an/an/a 0.460n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM11930
PNG
(2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfo...)
Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H14N2O5S3/c1-19-10-4-2-9(3-5-10)8-14-22(17,18)12-7-6-11(20-12)21(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
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n/an/an/a 0.490n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM11931
PNG
(2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonami...)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)NCc1cccs1
Show InChI InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)
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n/an/an/a 0.830n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM11932
PNG
(3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO...)
Show SMILES NS(=O)(=O)c1cc2C(O)CN(Cc3cccs3)S(=O)(=O)c2s1
Show InChI InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)
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n/an/an/a 0.200n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM11933
PNG
(3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIEN...)
Show SMILES COc1ccc(cc1)N1CC(O)c2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)
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n/an/an/a 0.160n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM11934
PNG
((4R)-4-(ethylamino)-2-(2-methoxyethyl)-1,1-dioxo-2...)
Show SMILES CCN[C@H]1CN(CCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C11H19N3O5S3/c1-3-13-9-7-14(4-5-19-2)22(17,18)11-8(9)6-10(20-11)21(12,15)16/h6,9,13H,3-5,7H2,1-2H3,(H2,12,15,16)/t9-/m0/s1
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n/an/an/a 0.320n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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n/an/an/a 0.130n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM11935
PNG
(2-(3-methoxyphenyl)-1,1-dioxo-2H,3H,4H-1,7,2-thien...)
Show SMILES COc1cccc(c1)N1CCc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H14N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17)
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n/an/an/a 0.100n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM11936
PNG
((4R)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo...)
Show SMILES CN[C@H]1CN(c2cccc(OC)c2)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m0/s1
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n/an/an/a 0.100n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM11937
PNG
((4S)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo...)
Show SMILES CN[C@@H]1CN(c2cccc(OC)c2)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m1/s1
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n/an/an/a 1.70n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM11938
PNG
(2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE...)
Show SMILES COc1cccc(c1)N1C=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)
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n/an/an/a 0.130n/an/an/a7.437



University of Pennsylvania



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


Protein Sci 7: 2483-9 (1998)


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


(Homo sapiens (human))
BDBM50163862
PNG
(4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
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n/an/an/a 4n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50163863
PNG
(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
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n/an/an/a 8.30n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50163864
PNG
(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
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n/an/an/a 4.34E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50329832
PNG
(5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
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n/an/an/a 1.56E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246549
PNG
(4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)
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n/an/an/a 6.30n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246550
PNG
(2-Chloro-4-[(2-methyl-1H-benzimidazol-1-yl)acetyl]...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O
Show InChI InChI=1S/C16H14ClN3O3S/c1-10-19-13-4-2-3-5-14(13)20(10)9-15(21)11-6-7-16(12(17)8-11)24(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)
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n/an/an/a 10.5n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246551
PNG
(3-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-7-2-3-8-15(14)19(11)10-16(20)12-5-4-6-13(9-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)
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n/an/an/a 7.69E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50329831
PNG
(2-Chloro-5-[(2-methyl-1H-benzimidazol-1-yl)acetyl]...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H14ClN3O3S/c1-10-19-13-4-2-3-5-14(13)20(10)9-15(21)11-6-7-12(17)16(8-11)24(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246552
PNG
(4-{[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Cn1c(CO)nc2ccccc12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-7-5-11(6-8-12)15(21)9-19-14-4-2-1-3-13(14)18-16(19)10-20/h1-8,20H,9-10H2,(H2,17,22,23)
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n/an/an/a 4.17n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246553
PNG
(2-Chloro-4-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...)
Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1c(CO)nc2ccccc12
Show InChI InChI=1S/C16H14ClN3O4S/c17-11-7-10(5-6-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)
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n/an/an/a 14.3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246575
PNG
(3-{[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1c(CO)nc2ccccc12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-5-3-4-11(8-12)15(21)9-19-14-7-2-1-6-13(14)18-16(19)10-20/h1-8,20H,9-10H2,(H2,17,22,23)
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n/an/an/a 4.00E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50329830
PNG
(2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12
Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246554
PNG
(4-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)18-12-10-17(11-13-18)21(26)15-25-20-9-5-4-8-19(20)24-22(25)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H2,23,27,28)
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n/an/an/a 100n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246555
PNG
(4-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chloro...)
Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1c(Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C22H18ClN3O3S/c23-17-13-16(10-11-21(17)30(24,28)29)20(27)14-26-19-9-5-4-8-18(19)25-22(26)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H2,24,28,29)
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n/an/an/a 2.86n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246556
PNG
(3-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)18-10-6-9-17(14-18)21(26)15-25-20-12-5-4-11-19(20)24-22(25)13-16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H2,23,27,28)
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n/an/an/a 1.67E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50329822
PNG
(5-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chloro...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C22H18ClN3O3S/c23-17-11-10-16(13-21(17)30(24,28)29)20(27)14-26-19-9-5-4-8-18(19)25-22(26)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H2,24,28,29)
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n/an/an/a 1.56E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246557
PNG
(4-[(2-Ethyl-1H-benzimidazol-1-yl)acetyl]benzenesul...)
Show SMILES CCc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H17N3O3S/c1-2-17-19-14-5-3-4-6-15(14)20(17)11-16(21)12-7-9-13(10-8-12)24(18,22)23/h3-10H,2,11H2,1H3,(H2,18,22,23)
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n/an/an/a 5n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246558
PNG
(2-Chloro-4-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]b...)
Show SMILES CCc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O
Show InChI InChI=1S/C17H16ClN3O3S/c1-2-17-20-13-5-3-4-6-14(13)21(17)10-15(22)11-7-8-16(12(18)9-11)25(19,23)24/h3-9H,2,10H2,1H3,(H2,19,23,24)
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n/an/an/a 6.25n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246559
PNG
(3-[(2-Ethyl-1H-benzimidazol-1-yl)acetyl]benzenesul...)
Show SMILES CCc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H17N3O3S/c1-2-17-19-14-8-3-4-9-15(14)20(17)11-16(21)12-6-5-7-13(10-12)24(18,22)23/h3-10H,2,11H2,1H3,(H2,18,22,23)
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n/an/an/a 7.69E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50329823
PNG
(2-Chloro-5-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]b...)
Show SMILES CCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H16ClN3O3S/c1-2-17-20-13-5-3-4-6-14(13)21(17)10-15(22)11-7-8-12(18)16(9-11)25(19,23)24/h3-9H,2,10H2,1H3,(H2,19,23,24)
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n/an/an/a 556n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246560
PNG
(4-[(2-Propyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES CCCc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O3S/c1-2-5-18-20-15-6-3-4-7-16(15)21(18)12-17(22)13-8-10-14(11-9-13)25(19,23)24/h3-4,6-11H,2,5,12H2,1H3,(H2,19,23,24)
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n/an/an/a 5.56n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246561
PNG
(2-Chloro-4-[(2-propyl-1H-benzimidazol-1-yl)acetyl]...)
Show SMILES CCCc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O
Show InChI InChI=1S/C18H18ClN3O3S/c1-2-5-18-21-14-6-3-4-7-15(14)22(18)11-16(23)12-8-9-17(13(19)10-12)26(20,24)25/h3-4,6-10H,2,5,11H2,1H3,(H2,20,24,25)
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n/an/an/a 3.57n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246562
PNG
(3-[(2-Propyl-1H-benzimidazol-1-yl)acetyl]benzenesu...)
Show SMILES CCCc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O3S/c1-2-6-18-20-15-9-3-4-10-16(15)21(18)12-17(22)13-7-5-8-14(11-13)25(19,23)24/h3-5,7-11H,2,6,12H2,1H3,(H2,19,23,24)
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n/an/an/a 6.67E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50329824
PNG
(2-Chloro-5-[(2-propyl-1H-benzimidazol-1-yl)acetyl]...)
Show SMILES CCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H18ClN3O3S/c1-2-5-18-21-14-6-3-4-7-15(14)22(18)11-16(23)12-8-9-13(19)17(10-12)26(20,24)25/h3-4,6-10H,2,5,11H2,1H3,(H2,20,24,25)
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n/an/an/a 833n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246563
PNG
(4-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]benzenesul...)
Show SMILES CCCCc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H21N3O3S/c1-2-3-8-19-21-16-6-4-5-7-17(16)22(19)13-18(23)14-9-11-15(12-10-14)26(20,24)25/h4-7,9-12H,2-3,8,13H2,1H3,(H2,20,24,25)
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n/an/an/a 4.17n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246564
PNG
(4-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]-2-chlorob...)
Show SMILES CCCCc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O
Show InChI InChI=1S/C19H20ClN3O3S/c1-2-3-8-19-22-15-6-4-5-7-16(15)23(19)12-17(24)13-9-10-18(14(20)11-13)27(21,25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,25,26)
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n/an/an/a 2.70n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246565
PNG
(3-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]benzenesul...)
Show SMILES CCCCc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H21N3O3S/c1-2-3-11-19-21-16-9-4-5-10-17(16)22(19)13-18(23)14-7-6-8-15(12-14)26(20,24)25/h4-10,12H,2-3,11,13H2,1H3,(H2,20,24,25)
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n/an/an/a 2.86E+3n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50329825
PNG
(5-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]-2-chlorob...)
Show SMILES CCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H20ClN3O3S/c1-2-3-8-19-22-15-6-4-5-7-16(15)23(19)12-17(24)13-9-10-14(20)18(11-13)27(21,25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,25,26)
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n/an/an/a 454n/an/an/an/an/a



Vilnius University



Assay Description
The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...


J Enzyme Inhib Med Chem 29: 124-31 (2014)


Article DOI: 10.3109/14756366.2012.757223
BindingDB Entry DOI: 10.7270/Q2RV0MMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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