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15 molecules are shown

Compile data set for download or QSAR
Wt: 337.4
BDBM50317397
Wt: 380.4
BDBM50317398
Wt: 367.4
BDBM50317399
Wt: 381.4
BDBM50317400
Wt: 351.4
BDBM50317401
Wt: 413.5
BDBM50317402
Wt: 472.4
BDBM50317403
Wt: 355.4
BDBM50317404
Wt: 465.4
BDBM50317405
Wt: 399.4
BDBM50317406
Wt: 453.4
BDBM50317407
Wt: 417.4
BDBM50317408
Wt: 452.4
BDBM50317410
Wt: 529.5
BDBM50317411
Wt: 403.4
BDBM50317415

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50317397,50317398,50317399,50317400,50317401,50317402,50317403,50317404,50317405,50317406,50317407,50317408,50317410,50317411,50317415   
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 4


(Homo sapiens (Human))
BDBM50317397
PNG
(5-(Aminosulfonyl)-N-ethyl-2-(phenylthio)nicotinami...)
Show SMILES CCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O3S2/c1-2-16-13(18)12-8-11(22(15,19)20)9-17-14(12)21-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,18)(H2,15,19,20)
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n/an/a 283n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317415
PNG
(6-[(3,4-Difluorophenyl)thio]-5-{[(3-methoxypropyl)...)
Show SMILES COCCCNCc1cc(cnc1Sc1ccc(F)c(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C16H19F2N3O3S2/c1-24-6-2-5-20-9-11-7-13(26(19,22)23)10-21-16(11)25-12-3-4-14(17)15(18)8-12/h3-4,7-8,10,20H,2,5-6,9H2,1H3,(H2,19,22,23)
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n/an/a 2.19E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317399
PNG
(5-(Aminosulfonyl)-N-(2-methoxyethyl)-2-(phenylthio...)
Show SMILES COCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N3O4S2/c1-22-8-7-17-14(19)13-9-12(24(16,20)21)10-18-15(13)23-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H2,16,20,21)
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n/an/a 361n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317400
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-(phenylthi...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22)
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n/an/a 246n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317401
PNG
(5-(Aminosulfonyl)-2-(phenylthio)-N-propylnicotinam...)
Show SMILES CCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N3O3S2/c1-2-8-17-14(19)13-9-12(23(16,20)21)10-18-15(13)22-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,17,19)(H2,16,20,21)
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n/an/a 229n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317402
PNG
(5-(Aminosulfonyl)-N-(2-phenylethyl)-2-(phenylthio)...)
Show SMILES NS(=O)(=O)c1cnc(Sc2ccccc2)c(c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H19N3O3S2/c21-28(25,26)17-13-18(19(24)22-12-11-15-7-3-1-4-8-15)20(23-14-17)27-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,24)(H2,21,25,26)
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317403
PNG
(5-(Aminosulfonyl)-N-(pyridin-2-ylmethyl)-2-[(2,3,5...)
Show SMILES NS(=O)(=O)c1cnc(Sc2c(F)c(F)cc(F)c2F)c(c1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C18H12F4N4O3S2/c19-12-6-13(20)15(22)16(14(12)21)30-18-11(5-10(8-26-18)31(23,28)29)17(27)25-7-9-3-1-2-4-24-9/h1-6,8H,7H2,(H,25,27)(H2,23,28,29)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317397
PNG
(5-(Aminosulfonyl)-N-ethyl-2-(phenylthio)nicotinami...)
Show SMILES CCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O3S2/c1-2-16-13(18)12-8-11(22(15,19)20)9-17-14(12)21-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,18)(H2,15,19,20)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317398
PNG
(5-(Aminosulfonyl)-N-[2-(dimethylamino)ethyl]-2-(ph...)
Show SMILES CN(C)CCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N4O3S2/c1-20(2)9-8-18-15(21)14-10-13(25(17,22)23)11-19-16(14)24-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)(H2,17,22,23)
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n/an/a 2.71E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317399
PNG
(5-(Aminosulfonyl)-N-(2-methoxyethyl)-2-(phenylthio...)
Show SMILES COCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N3O4S2/c1-22-8-7-17-14(19)13-9-12(24(16,20)21)10-18-15(13)23-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H2,16,20,21)
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n/an/a 57.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317400
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-(phenylthi...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317401
PNG
(5-(Aminosulfonyl)-2-(phenylthio)-N-propylnicotinam...)
Show SMILES CCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N3O3S2/c1-2-8-17-14(19)13-9-12(23(16,20)21)10-18-15(13)22-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,17,19)(H2,16,20,21)
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n/an/a 26.7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317402
PNG
(5-(Aminosulfonyl)-N-(2-phenylethyl)-2-(phenylthio)...)
Show SMILES NS(=O)(=O)c1cnc(Sc2ccccc2)c(c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H19N3O3S2/c21-28(25,26)17-13-18(19(24)22-12-11-15-7-3-1-4-8-15)20(23-14-17)27-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,24)(H2,21,25,26)
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n/an/a 26.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317403
PNG
(5-(Aminosulfonyl)-N-(pyridin-2-ylmethyl)-2-[(2,3,5...)
Show SMILES NS(=O)(=O)c1cnc(Sc2c(F)c(F)cc(F)c2F)c(c1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C18H12F4N4O3S2/c19-12-6-13(20)15(22)16(14(12)21)30-18-11(5-10(8-26-18)31(23,28)29)17(27)25-7-9-3-1-2-4-24-9/h1-6,8H,7H2,(H,25,27)(H2,23,28,29)
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n/an/a 23.2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317404
PNG
(5-(Aminosulfonyl)-N-ethyl-2-[(3-fluorophenyl)thio]...)
Show SMILES CCNC(=O)c1cc(cnc1Sc1cccc(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C14H14FN3O3S2/c1-2-17-13(19)12-7-11(23(16,20)21)8-18-14(12)22-10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,17,19)(H2,16,20,21)
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n/an/a 19.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317405
PNG
(5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(...)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2Sc2ccc(F)c(F)c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H17F2N3O4S2/c1-29-13-4-2-12(3-5-13)10-24-19(26)16-9-15(31(23,27)28)11-25-20(16)30-14-6-7-17(21)18(22)8-14/h2-9,11H,10H2,1H3,(H,24,26)(H2,23,27,28)
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n/an/a 2.19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317406
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(3-fluoro...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1cccc(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C16H18FN3O4S2/c1-24-7-3-6-19-15(21)14-9-13(26(18,22)23)10-20-16(14)25-12-5-2-4-11(17)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,21)(H2,18,22,23)
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n/an/a 25.8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317407
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(2,3,5,6-...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C16H15F4N3O4S2/c1-27-4-2-3-22-15(24)9-5-8(29(21,25)26)7-23-16(9)28-14-12(19)10(17)6-11(18)13(14)20/h5-7H,2-4H2,1H3,(H,22,24)(H2,21,25,26)
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n/an/a 10.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317408
PNG
(5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccc(F)c(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C16H17F2N3O4S2/c1-25-6-2-5-20-15(22)12-8-11(27(19,23)24)9-21-16(12)26-10-3-4-13(17)14(18)7-10/h3-4,7-9H,2,5-6H2,1H3,(H,20,22)(H2,19,23,24)
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n/an/a 34.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317410
PNG
(CHEMBL1099151 | N-(3-Aminopropyl)-5-(aminosulfonyl...)
Show SMILES NCCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C16H16F4N4O3S2/c17-10-6-11(18)13(20)14(12(10)19)28-16-9(15(25)23-4-2-1-3-21)5-8(7-24-16)29(22,26)27/h5-7H,1-4,21H2,(H,23,25)(H2,22,26,27)
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n/an/a 45.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317411
PNG
(5-(Aminosulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-2-[...)
Show SMILES COc1ccc(CCCNC(=O)c2cc(cnc2Sc2c(F)c(F)cc(F)c2F)S(N)(=O)=O)cc1
Show InChI InChI=1S/C22H19F4N3O4S2/c1-33-13-6-4-12(5-7-13)3-2-8-28-21(30)15-9-14(35(27,31)32)11-29-22(15)34-20-18(25)16(23)10-17(24)19(20)26/h4-7,9-11H,2-3,8H2,1H3,(H,28,30)(H2,27,31,32)
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n/an/a 11.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317415
PNG
(6-[(3,4-Difluorophenyl)thio]-5-{[(3-methoxypropyl)...)
Show SMILES COCCCNCc1cc(cnc1Sc1ccc(F)c(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C16H19F2N3O3S2/c1-24-6-2-5-20-9-11-7-13(26(19,22)23)10-21-16(11)25-12-3-4-14(17)15(18)8-12/h3-4,7-8,10,20H,2,5-6,9H2,1H3,(H2,19,22,23)
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n/an/a 386n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317404
PNG
(5-(Aminosulfonyl)-N-ethyl-2-[(3-fluorophenyl)thio]...)
Show SMILES CCNC(=O)c1cc(cnc1Sc1cccc(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C14H14FN3O3S2/c1-2-17-13(19)12-7-11(23(16,20)21)8-18-14(12)22-10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,17,19)(H2,16,20,21)
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n/an/a 126n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317405
PNG
(5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(...)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2Sc2ccc(F)c(F)c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H17F2N3O4S2/c1-29-13-4-2-12(3-5-13)10-24-19(26)16-9-15(31(23,27)28)11-25-20(16)30-14-6-7-17(21)18(22)8-14/h2-9,11H,10H2,1H3,(H,24,26)(H2,23,27,28)
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n/an/a 46.8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317406
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(3-fluoro...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1cccc(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C16H18FN3O4S2/c1-24-7-3-6-19-15(21)14-9-13(26(18,22)23)10-20-16(14)25-12-5-2-4-11(17)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,21)(H2,18,22,23)
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n/an/a 118n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317407
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(2,3,5,6-...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C16H15F4N3O4S2/c1-27-4-2-3-22-15(24)9-5-8(29(21,25)26)7-23-16(9)28-14-12(19)10(17)6-11(18)13(14)20/h5-7H,2-4H2,1H3,(H,22,24)(H2,21,25,26)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317408
PNG
(5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccc(F)c(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C16H17F2N3O4S2/c1-25-6-2-5-20-15(22)12-8-11(27(19,23)24)9-21-16(12)26-10-3-4-13(17)14(18)7-10/h3-4,7-9H,2,5-6H2,1H3,(H,20,22)(H2,19,23,24)
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n/an/a 139n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317410
PNG
(CHEMBL1099151 | N-(3-Aminopropyl)-5-(aminosulfonyl...)
Show SMILES NCCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C16H16F4N4O3S2/c17-10-6-11(18)13(20)14(12(10)19)28-16-9(15(25)23-4-2-1-3-21)5-8(7-24-16)29(22,26)27/h5-7H,1-4,21H2,(H,23,25)(H2,22,26,27)
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n/an/a 33.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317411
PNG
(5-(Aminosulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-2-[...)
Show SMILES COc1ccc(CCCNC(=O)c2cc(cnc2Sc2c(F)c(F)cc(F)c2F)S(N)(=O)=O)cc1
Show InChI InChI=1S/C22H19F4N3O4S2/c1-33-13-6-4-12(5-7-13)3-2-8-28-21(30)15-9-14(35(27,31)32)11-29-22(15)34-20-18(25)16(23)10-17(24)19(20)26/h4-7,9-11H,2-3,8H2,1H3,(H,28,30)(H2,27,31,32)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317398
PNG
(5-(Aminosulfonyl)-N-[2-(dimethylamino)ethyl]-2-(ph...)
Show SMILES CN(C)CCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N4O3S2/c1-20(2)9-8-18-15(21)14-10-13(25(17,22)23)11-19-16(14)24-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)(H2,17,22,23)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)