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Compile Data Set for Download or QSAR

Found 456 hits of kd data for polymerid = 1193,1277,50000479   
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))
BDBM50078671
PNG
(CHEMBL3415380)
Show SMILES CCN[C@H]1C[C@H](CCO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C11H17N3O7S3/c1-2-13-9-5-7(3-4-21-14(15)16)23(17,18)11-8(9)6-10(22-11)24(12,19)20/h6-7,9,13H,2-5H2,1H3,(H2,12,19,20)/t7-,9-/s2
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n/an/an/a 0.0340n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 58: 2821-33 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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n/an/an/a 0.0430n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 58: 2821-33 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50078672
PNG
(CHEMBL3415379)
Show SMILES CCN[C@H]1C[C@H](CCCO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C12H19N3O7S3/c1-2-14-10-6-8(4-3-5-22-15(16)17)24(18,19)12-9(10)7-11(23-12)25(13,20)21/h7-8,10,14H,2-6H2,1H3,(H2,13,20,21)/t8-,10-/s2
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n/an/an/a 0.0830n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 58: 2821-33 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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n/an/an/a 0.0890n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 58: 2821-33 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50078643
PNG
(CHEMBL3415383)
Show SMILES CCN[C@H]1CN(CCCO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C11H18N4O7S3/c1-2-13-9-7-14(4-3-5-22-15(16)17)25(20,21)11-8(9)6-10(23-11)24(12,18)19/h6,9,13H,2-5,7H2,1H3,(H2,12,18,19)/t9-/s2
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n/an/an/a 0.0900n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 58: 2821-33 (2015)

More data for this
Ligand-Target Pair
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)

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)

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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50078642
PNG
(CHEMBL3415384)
Show SMILES CCN[C@H]1CN(CCCO)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C11H19N3O5S3/c1-2-13-9-7-14(4-3-5-15)22(18,19)11-8(9)6-10(20-11)21(12,16)17/h6,9,13,15H,2-5,7H2,1H3,(H2,12,16,17)/t9-/s2
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n/an/an/a 0.136n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 58: 2821-33 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50078644
PNG
(CHEMBL3415382)
Show SMILES CCN[C@H]1C[C@H](CCCO)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C12H20N2O5S3/c1-2-14-10-6-8(4-3-5-15)21(16,17)12-9(10)7-11(20-12)22(13,18)19/h7-8,10,14-15H,2-6H2,1H3,(H2,13,18,19)/t8-,10-/s2
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n/an/an/a 0.170n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 58: 2821-33 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038965
PNG
(CHEMBL63396 | N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C15H9F15N2O3S/c16-9(17,5-32-8(33)6-1-3-7(4-2-6)36(31,34)35)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h1-4H,5H2,(H,32,33)(H2,31,34,35)
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n/an/an/a 0.300n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50163866
PNG
(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CC(C)(C)Nc1c(F)c(c(F)c(F)c1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C18H21F3N2O4S2/c1-18(2,3)23-15-14(21)16(29(22,26)27)12(19)13(20)17(15)28(24,25)10-9-11-7-5-4-6-8-11/h4-8,23H,9-10H2,1-3H3,(H2,22,26,27)
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n/an/an/a 0.590n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038968
PNG
(CHEMBL293626 | N-Naphthalen-1-ylmethyl-4-sulfamoyl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C18H16N2O3S/c19-24(22,23)16-10-8-14(9-11-16)18(21)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,20,21)(H2,19,22,23)
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n/an/an/a 0.600n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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n/an/an/a 0.710n/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50078670
PNG
(CHEMBL3415381)
Show SMILES CCN[C@H]1C[C@H](CO[N+]([O-])=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1/C10H15N3O7S3/c1-2-12-8-3-6(5-20-13(14)15)22(16,17)10-7(8)4-9(21-10)23(11,18)19/h4,6,8,12H,2-3,5H2,1H3,(H2,11,18,19)/t6-,8+/s2
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n/an/an/a 0.800n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 58: 2821-33 (2015)

More data for this
Ligand-Target Pair
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038956
PNG
(CHEMBL63926 | {2-[(S)-2-Phenyl-2-(4-sulfamoyl-benz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N4O7S/c27-38(35,36)21-13-11-20(12-14-21)25(33)30-24(19-9-5-2-6-10-19)26(34)29-15-22(31)28-16-23(32)37-17-18-7-3-1-4-8-18/h1-14,24H,15-17H2,(H,28,31)(H,29,34)(H,30,33)(H2,27,35,36)/t24-/m0/s1
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n/an/an/a 0.900n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429922
PNG
(CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCSc1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16)
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n/an/an/a 0.910n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038966
PNG
(CHEMBL293628 | N-Cyclohexylmethyl-4-sulfamoyl-benz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C14H20N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,16,17)(H2,15,18,19)
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n/an/an/a 1.10n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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n/an/an/a 1.10n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429908
PNG
(CHEMBL2333411)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(Sc2nc3ccccc3s2)c(F)c1F
Show InChI InChI=1S/C13H6F4N2O2S3/c14-7-9(16)12(24(18,20)21)10(17)8(15)11(7)23-13-19-5-3-1-2-4-6(5)22-13/h1-4H,(H2,18,20,21)
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n/an/an/a 1.10n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM12013
PNG
(4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE | CHEMBL...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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n/an/an/a 1.10n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429911
PNG
(CHEMBL2333407)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
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n/an/an/a 1.30n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429915
PNG
(CHEMBL2333403)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCc2ccccc2)c(F)c1F
Show InChI InChI=1S/C13H9F4NO2S2/c14-8-10(16)13(22(18,19)20)11(17)9(15)12(8)21-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,18,19,20)
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n/an/an/a 1.30n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038953
PNG
(CHEMBL67475 | N-Pyridin-4-ylmethyl-4-sulfamoyl-ben...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)(H2,14,18,19)
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n/an/an/a 1.40n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038958
PNG
(CHEMBL63627 | N-(4-Dimethylamino-benzyl)-4-sulfamo...)
Show SMILES CN(C)c1ccc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-19(2)14-7-3-12(4-8-14)11-18-16(20)13-5-9-15(10-6-13)23(17,21)22/h3-10H,11H2,1-2H3,(H,18,20)(H2,17,21,22)
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n/an/an/a 1.40n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
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 1.5n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12016
PNG
(2,3-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,3-DIFLU...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cccc(F)c1F
Show InChI InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
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n/an/an/a 1.60n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038967
PNG
(CHEMBL65489 | N-Phenylsulfanylmethyl-4-sulfamoyl-b...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCSc1ccccc1
Show InChI InChI=1S/C14H14N2O3S2/c15-21(18,19)13-8-6-11(7-9-13)14(17)16-10-20-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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n/an/an/a 1.70n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429912
PNG
(CHEMBL2333406)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1F
Show InChI InChI=1S/C14H11F4NO2S2/c15-9-11(17)14(23(19,20)21)12(18)10(16)13(9)22-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,20,21)
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n/an/an/a 1.70n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429913
PNG
(CHEMBL2333405)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(NCCc2ccc(O)cc2)c(F)c1F
Show InChI InChI=1S/C14H12F4N2O3S/c15-9-11(17)14(24(19,22)23)12(18)10(16)13(9)20-6-5-7-1-3-8(21)4-2-7/h1-4,20-21H,5-6H2,(H2,19,22,23)
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n/an/an/a 1.70n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12023
PNG
(2,3,4,5,6-pentafluoro-SBB | 4-(AMINOSULFONYL)-N-[(...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
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n/an/an/a 2n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038971
PNG
(CHEMBL305376 | N-(4-Nitro-benzyl)-4-sulfamoyl-benz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N3O5S/c15-23(21,22)13-7-3-11(4-8-13)14(18)16-9-10-1-5-12(6-2-10)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)
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n/an/an/a 2n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429922
PNG
(CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCSc1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16)
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n/an/an/a 2n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038962
PNG
(CHEMBL302105 | N-Adamantan-1-ylmethyl-4-sulfamoyl-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H24N2O3S/c19-24(22,23)16-3-1-15(2-4-16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)(H2,19,22,23)
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n/an/an/a 2.10n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12018
PNG
(2,5-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,5-DIFLU...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(F)ccc1F
Show InChI InChI=1S/C14H12F2N2O3S/c15-11-3-6-13(16)10(7-11)8-18-14(19)9-1-4-12(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
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n/an/an/a 2.20n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038955
PNG
(CHEMBL65268 | N-(2-Methyl-benzyl)-4-sulfamoyl-benz...)
Show SMILES Cc1ccccc1CNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H16N2O3S/c1-11-4-2-3-5-13(11)10-17-15(18)12-6-8-14(9-7-12)21(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/an/a 2.20n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12014
PNG
(2-fluoro-SBB | 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENY...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
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n/an/an/a 2.30n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM12020
PNG
(2,3,4-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,3,4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)c(F)c1F
Show InChI InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
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n/an/an/a 2.30n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50163865
PNG
(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CNc1c(F)c(c(F)c(F)c1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15F3N2O4S2/c1-20-13-12(18)14(26(19,23)24)10(16)11(17)15(13)25(21,22)8-7-9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3,(H2,19,23,24)
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n/an/an/a 2.40n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429916
PNG
(CHEMBL2333402)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(Oc2ccccc2)c(F)c1F
Show InChI InChI=1S/C12H7F4NO3S/c13-7-9(15)12(21(17,18)19)10(16)8(14)11(7)20-6-4-2-1-3-5-6/h1-5H,(H2,17,18,19)
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n/an/an/a 2.5n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038964
PNG
(CHEMBL294548 | N-Octyl-4-sulfamoyl-benzamide)
Show SMILES CCCCCCCCNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O3S/c1-2-3-4-5-6-7-12-17-15(18)13-8-10-14(11-9-13)21(16,19)20/h8-11H,2-7,12H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/an/a 2.5n/an/an/an/an/a



Harvard University

Curated by ChEMBL


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


Citation and Details
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/a7.0n/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)

More data for this
Ligand-Target Pair
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