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PubMed code 1433194

Compile data set for download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003252
PNG
(4-(4-Morpholin-4-ylmethyl-benzenesulfonyl)-thiophe...)
Show SMILES NS(=O)(=O)c1cc(cs1)S(=O)(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C15H18N2O5S3/c16-25(20,21)15-9-14(11-23-15)24(18,19)13-3-1-12(2-4-13)10-17-5-7-22-8-6-17/h1-4,9,11H,5-8,10H2,(H2,16,20,21)
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003246
PNG
(4-(3-Dimethylaminomethyl-4-hydroxy-benzenesulfonyl...)
Show SMILES CN(C)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N2O6S2/c1-15(2)7-9-5-10(3-4-12(9)16)22(17,18)11-6-13(21-8-11)23(14,19)20/h3-6,8,16H,7H2,1-2H3,(H2,14,19,20)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003246
PNG
(4-(3-Dimethylaminomethyl-4-hydroxy-benzenesulfonyl...)
Show SMILES CN(C)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N2O6S2/c1-15(2)7-9-5-10(3-4-12(9)16)22(17,18)11-6-13(21-8-11)23(14,19)20/h3-6,8,16H,7H2,1-2H3,(H2,14,19,20)
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2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003247
PNG
(4-(4-Morpholin-4-ylmethyl-benzoyl)-thiophene-2-sul...)
Show SMILES NS(=O)(=O)c1cc(cs1)C(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C16H18N2O4S2/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-12(2-4-13)10-18-5-7-22-8-6-18/h1-4,9,11H,5-8,10H2,(H2,17,20,21)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003244
PNG
(4-(3-Diethylaminomethyl-4-hydroxy-benzenesulfonyl)...)
Show SMILES CCN(CC)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O6S2/c1-3-17(4-2)9-11-7-12(5-6-14(11)18)24(19,20)13-8-15(23-10-13)25(16,21)22/h5-8,10,18H,3-4,9H2,1-2H3,(H2,16,21,22)
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003245
PNG
(4-[4-(Isobutylamino-methyl)-benzenesulfonyl]-thiop...)
Show SMILES CC(C)CNCc1ccc(cc1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-3-5-13(6-4-12)23(18,19)14-7-15(22-10-14)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003251
PNG
(4-(4-Hydroxy-benzenesulfonyl)-thiophene-2-sulfonic...)
Show SMILES NS(=O)(=O)c1cc(cs1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C10H9NO5S3/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-7(12)2-4-8/h1-6,12H,(H2,11,15,16)
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8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003243
PNG
(4-(3-Morpholin-4-ylmethyl-benzoyl)-thiophene-2-sul...)
Show SMILES NS(=O)(=O)c1cc(cs1)C(=O)c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C16H18N2O4S2/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-2-12(8-13)10-18-4-6-22-7-5-18/h1-3,8-9,11H,4-7,10H2,(H2,17,20,21)
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003242
PNG
(4-[3-(Isobutylamino-methyl)-benzoyl]-thiophene-2-s...)
Show SMILES CC(C)CNCc1cccc(c1)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O3S2/c1-11(2)8-18-9-12-4-3-5-13(6-12)16(19)14-7-15(22-10-14)23(17,20)21/h3-7,10-11,18H,8-9H2,1-2H3,(H2,17,20,21)
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003248
PNG
(4-(3-Diethylaminomethyl-4-hydroxy-benzoyl)-thiophe...)
Show SMILES CCN(CC)Cc1cc(ccc1O)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-3-18(4-2)9-12-7-11(5-6-14(12)19)16(20)13-8-15(23-10-13)24(17,21)22/h5-8,10,19H,3-4,9H2,1-2H3,(H2,17,21,22)
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003249
PNG
(4-[2-(Isobutylamino-methyl)-benzenesulfonyl]-thiop...)
Show SMILES CC(C)CNCc1ccccc1S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-5-3-4-6-14(12)23(18,19)13-7-15(22-10-13)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21)
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50003250
PNG
(4-(3-Dimethylaminomethyl-4-hydroxy-benzoyl)-thioph...)
Show SMILES CN(C)Cc1cc(ccc1O)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N2O4S2/c1-16(2)7-10-5-9(3-4-12(10)17)14(18)11-6-13(21-8-11)22(15,19)20/h3-6,8,17H,7H2,1-2H3,(H2,15,19,20)
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34n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


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


(Homo sapiens (human))
BDBM50455667
PNG
(CHEMBL340519)
Show SMILES COc1ccc(cc1)C(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C12H11NO5S/c1-17-10-4-2-8(3-5-10)12(14)9-6-11(18-7-9)19(13,15)16/h2-7H,1H3,(H2,13,15,16)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455677
PNG
(CHEMBL341037)
Show SMILES Cc1ccc(cc1)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C12H11NO3S2/c1-8-2-4-9(5-3-8)12(14)10-6-11(17-7-10)18(13,15)16/h2-7H,1H3,(H2,13,15,16)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455689
PNG
(CHEMBL127817)
Show SMILES NS(=O)(=O)c1cc(cs1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C10H9NO5S3/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-2-7(12)4-8/h1-6,12H,(H2,11,15,16)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455682
PNG
(CHEMBL540835)
Show SMILES NS(=O)(=O)c1cc(cs1)C(=O)c1ccc(CNCc2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O3S2.ClH/c20-26(23,24)18-10-17(13-25-18)19(22)16-8-6-15(7-9-16)12-21-11-14-4-2-1-3-5-14;/h1-10,13,21H,11-12H2,(H2,20,23,24);1H
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n/an/a 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455669
PNG
(CHEMBL125102)
Show SMILES NS(=O)(=O)c1cc(cs1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C11H9NO4S2/c12-18(15,16)10-5-8(6-17-10)11(14)7-1-3-9(13)4-2-7/h1-6,13H,(H2,12,15,16)
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455695
PNG
(CHEMBL123979)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H11NO6S2/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16)
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455697
PNG
(CHEMBL333588)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H11NO4S3/c1-8-2-4-9(5-3-8)18(13,14)10-6-11(17-7-10)19(12,15)16/h2-7H,1H3,(H2,12,15,16)
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455678
PNG
(CHEMBL413114)
Show SMILES COc1ccc(cc1)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C12H11NO4S2/c1-17-10-4-2-8(3-5-10)12(14)9-6-11(18-7-9)19(13,15)16/h2-7H,1H3,(H2,13,15,16)
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003247
PNG
(4-(4-Morpholin-4-ylmethyl-benzoyl)-thiophene-2-sul...)
Show SMILES NS(=O)(=O)c1cc(cs1)C(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C16H18N2O4S2/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-12(2-4-13)10-18-5-7-22-8-6-18/h1-4,9,11H,5-8,10H2,(H2,17,20,21)
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n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455680
PNG
(CHEMBL541341)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)c2csc(c2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C17H21N3O3S2.ClH/c1-19-6-8-20(9-7-19)11-13-2-4-14(5-3-13)17(21)15-10-16(24-12-15)25(18,22)23;/h2-5,10,12H,6-9,11H2,1H3,(H2,18,22,23);1H
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455693
PNG
(CHEMBL123923)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H11NO5S2/c1-8-2-4-9(5-3-8)18(13,14)10-6-11(17-7-10)19(12,15)16/h2-7H,1H3,(H2,12,15,16)
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455694
PNG
(CHEMBL333747)
Show SMILES NS(=O)(=O)c1cc(co1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C10H9NO6S2/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-7(12)2-4-8/h1-6,12H,(H2,11,15,16)
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455686
PNG
(CHEMBL540329)
Show SMILES CNCc1ccc(cc1)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N2O3S2.ClH/c1-15-7-9-2-4-10(5-3-9)13(16)11-6-12(19-8-11)20(14,17)18;/h2-6,8,15H,7H2,1H3,(H2,14,17,18);1H
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n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455673
PNG
(CHEMBL544827)
Show SMILES CC(C)CNCc1ccc(cc1)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O3S2.ClH/c1-11(2)8-18-9-12-3-5-13(6-4-12)16(19)14-7-15(22-10-14)23(17,20)21;/h3-7,10-11,18H,8-9H2,1-2H3,(H2,17,20,21);1H
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455672
PNG
(CHEMBL539817)
Show SMILES CC(C)CN(C)Cc1cc(ccc1O)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H22N2O5S3.ClH/c1-11(2)8-18(3)9-12-6-13(4-5-15(12)19)25(20,21)14-7-16(24-10-14)26(17,22)23;/h4-7,10-11,19H,8-9H2,1-3H3,(H2,17,22,23);1H
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003251
PNG
(4-(4-Hydroxy-benzenesulfonyl)-thiophene-2-sulfonic...)
Show SMILES NS(=O)(=O)c1cc(cs1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C10H9NO5S3/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-7(12)2-4-8/h1-6,12H,(H2,11,15,16)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003243
PNG
(4-(3-Morpholin-4-ylmethyl-benzoyl)-thiophene-2-sul...)
Show SMILES NS(=O)(=O)c1cc(cs1)C(=O)c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C16H18N2O4S2/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-2-12(8-13)10-18-4-6-22-7-5-18/h1-3,8-9,11H,4-7,10H2,(H2,17,20,21)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003250
PNG
(4-(3-Dimethylaminomethyl-4-hydroxy-benzoyl)-thioph...)
Show SMILES CN(C)Cc1cc(ccc1O)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N2O4S2/c1-16(2)7-10-5-9(3-4-12(10)17)14(18)11-6-13(21-8-11)22(15,19)20/h3-6,8,17H,7H2,1-2H3,(H2,15,19,20)
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n/an/a 6.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003246
PNG
(4-(3-Dimethylaminomethyl-4-hydroxy-benzenesulfonyl...)
Show SMILES CN(C)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N2O6S2/c1-15(2)7-9-5-10(3-4-12(9)16)22(17,18)11-6-13(21-8-11)23(14,19)20/h3-6,8,16H,7H2,1-2H3,(H2,14,19,20)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003248
PNG
(4-(3-Diethylaminomethyl-4-hydroxy-benzoyl)-thiophe...)
Show SMILES CCN(CC)Cc1cc(ccc1O)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-3-18(4-2)9-12-7-11(5-6-14(12)19)16(20)13-8-15(23-10-13)24(17,21)22/h5-8,10,19H,3-4,9H2,1-2H3,(H2,17,21,22)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003252
PNG
(4-(4-Morpholin-4-ylmethyl-benzenesulfonyl)-thiophe...)
Show SMILES NS(=O)(=O)c1cc(cs1)S(=O)(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C15H18N2O5S3/c16-25(20,21)15-9-14(11-23-15)24(18,19)13-3-1-12(2-4-13)10-17-5-7-22-8-6-17/h1-4,9,11H,5-8,10H2,(H2,16,20,21)
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n/an/a 7.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455681
PNG
(CHEMBL544129)
Show SMILES NS(=O)(=O)c1cc(cs1)S(=O)(=O)c1ccc(CNCc2ccccn2)cc1
Show InChI InChI=1S/C17H17N3O4S3.ClH/c18-27(23,24)17-9-16(12-25-17)26(21,22)15-6-4-13(5-7-15)10-19-11-14-3-1-2-8-20-14;/h1-9,12,19H,10-11H2,(H2,18,23,24);1H
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455687
PNG
(CHEMBL541080)
Show SMILES CN(C)Cc1cc(ccc1O)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N2O5S3.ClH/c1-15(2)7-9-5-10(3-4-12(9)16)22(17,18)11-6-13(21-8-11)23(14,19)20;/h3-6,8,16H,7H2,1-2H3,(H2,14,19,20);1H
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455685
PNG
(CHEMBL544355)
Show SMILES CC(C)CCNCc1cccc(c1)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O3S2.ClH/c1-12(2)6-7-19-10-13-4-3-5-14(8-13)17(20)15-9-16(23-11-15)24(18,21)22;/h3-5,8-9,11-12,19H,6-7,10H2,1-2H3,(H2,18,21,22);1H
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455688
PNG
(CHEMBL544127)
Show SMILES CC(C)CN(C)Cc1cc(ccc1O)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O4S2.ClH/c1-11(2)8-19(3)9-13-6-12(4-5-15(13)20)17(21)14-7-16(24-10-14)25(18,22)23;/h4-7,10-11,20H,8-9H2,1-3H3,(H2,18,22,23);1H
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455679
PNG
(CHEMBL545057)
Show SMILES CCN(CC)Cc1cc(ccc1O)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O5S3.ClH/c1-3-17(4-2)9-11-7-12(5-6-14(11)18)24(19,20)13-8-15(23-10-13)25(16,21)22;/h5-8,10,18H,3-4,9H2,1-2H3,(H2,16,21,22);1H
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003244
PNG
(4-(3-Diethylaminomethyl-4-hydroxy-benzenesulfonyl)...)
Show SMILES CCN(CC)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O6S2/c1-3-17(4-2)9-11-7-12(5-6-14(11)18)24(19,20)13-8-15(23-10-13)25(16,21)22/h5-8,10,18H,3-4,9H2,1-2H3,(H2,16,21,22)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455696
PNG
(CHEMBL554875)
Show SMILES CN1CCN(Cc2ccc(cc2)S(=O)(=O)c2csc(c2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C16H21N3O4S3.ClH/c1-18-6-8-19(9-7-18)11-13-2-4-14(5-3-13)25(20,21)15-10-16(24-12-15)26(17,22)23;/h2-5,10,12H,6-9,11H2,1H3,(H2,17,22,23);1H
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455683
PNG
(CHEMBL541087)
Show SMILES CCCCNCc1ccc(cc1)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O3S2.ClH/c1-2-3-8-18-10-12-4-6-13(7-5-12)16(19)14-9-15(22-11-14)23(17,20)21;/h4-7,9,11,18H,2-3,8,10H2,1H3,(H2,17,20,21);1H
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455668
PNG
(CHEMBL541856)
Show SMILES CC(C)CNCc1cccc(c1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3.ClH/c1-11(2)8-17-9-12-4-3-5-13(6-12)23(18,19)14-7-15(22-10-14)24(16,20)21;/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21);1H
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003245
PNG
(4-[4-(Isobutylamino-methyl)-benzenesulfonyl]-thiop...)
Show SMILES CC(C)CNCc1ccc(cc1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-3-5-13(6-4-12)23(18,19)14-7-15(22-10-14)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003242
PNG
(4-[3-(Isobutylamino-methyl)-benzoyl]-thiophene-2-s...)
Show SMILES CC(C)CNCc1cccc(c1)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O3S2/c1-11(2)8-18-9-12-4-3-5-13(6-12)16(19)14-7-15(22-10-14)23(17,20)21/h3-7,10-11,18H,8-9H2,1-2H3,(H2,17,20,21)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455684
PNG
(CHEMBL555312)
Show SMILES CC(C)CNCc1ccc(cc1O)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O5S3.ClH/c1-10(2)7-17-8-11-3-4-12(5-14(11)18)24(19,20)13-6-15(23-9-13)25(16,21)22;/h3-6,9-10,17-18H,7-8H2,1-2H3,(H2,16,21,22);1H
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455691
PNG
(CHEMBL557231)
Show SMILES NS(=O)(=O)c1cc(cs1)S(=O)(=O)c1ccccc1CNCc1ccccn1
Show InChI InChI=1S/C17H17N3O4S3.ClH/c18-27(23,24)17-9-15(12-25-17)26(21,22)16-7-2-1-5-13(16)10-19-11-14-6-3-4-8-20-14;/h1-9,12,19H,10-11H2,(H2,18,23,24);1H
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455675
PNG
(CHEMBL545527)
Show SMILES CCN(CC)Cc1ccc(cc1O)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O5S3.ClH/c1-3-17(4-2)9-11-5-6-12(7-14(11)18)24(19,20)13-8-15(23-10-13)25(16,21)22;/h5-8,10,18H,3-4,9H2,1-2H3,(H2,16,21,22);1H
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50003249
PNG
(4-[2-(Isobutylamino-methyl)-benzenesulfonyl]-thiop...)
Show SMILES CC(C)CNCc1ccccc1S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-5-3-4-6-14(12)23(18,19)13-7-15(22-10-13)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455690
PNG
(CHEMBL554012)
Show SMILES CC(C)NCc1cccc(c1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N2O4S3.ClH/c1-10(2)16-8-11-4-3-5-12(6-11)22(17,18)13-7-14(21-9-13)23(15,19)20;/h3-7,9-10,16H,8H2,1-2H3,(H2,15,19,20);1H
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455676
PNG
(CHEMBL559014)
Show SMILES CN1CCN(Cc2ccccc2S(=O)(=O)c2csc(c2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C16H21N3O4S3.ClH/c1-18-6-8-19(9-7-18)11-13-4-2-3-5-15(13)25(20,21)14-10-16(24-12-14)26(17,22)23;/h2-5,10,12H,6-9,11H2,1H3,(H2,17,22,23);1H
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455692
PNG
(CHEMBL544826)
Show SMILES CCC(C)NCc1cccc(c1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3.ClH/c1-3-11(2)17-9-12-5-4-6-13(7-12)23(18,19)14-8-15(22-10-14)24(16,20)21;/h4-8,10-11,17H,3,9H2,1-2H3,(H2,16,20,21);1H
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455671
PNG
(CHEMBL539558)
Show SMILES CCCCNCc1ccc(cc1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3.ClH/c1-2-3-8-17-10-12-4-6-13(7-5-12)23(18,19)14-9-15(22-11-14)24(16,20)21;/h4-7,9,11,17H,2-3,8,10H2,1H3,(H2,16,20,21);1H
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455670
PNG
(CHEMBL541597)
Show SMILES CC(C)(C)NCc1ccc(cc1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3.ClH/c1-15(2,3)17-9-11-4-6-12(7-5-11)23(18,19)13-8-14(22-10-13)24(16,20)21;/h4-8,10,17H,9H2,1-3H3,(H2,16,20,21);1H
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


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


(Homo sapiens (human))
BDBM50455674
PNG
(CHEMBL262726)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H11NO5S3/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16)
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%