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PubMed code 1920359

Compile data set for download or QSAR
Found 40 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))
BDBM50406451
PNG
(CHEMBL104754)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)c(F)c1
Show InChI InChI=1S/C10H14FNO3S2/c11-9-7-8(17(12,14)15)3-4-10(9)16-6-2-1-5-13/h3-4,7,13H,1-2,5-6H2,(H2,12,14,15)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406425
PNG
(CHEMBL104621)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)CCCCO
Show InChI InChI=1S/C8H13NO5S3/c9-17(13,14)8-4-3-7(15-8)16(11,12)6-2-1-5-10/h3-4,10H,1-2,5-6H2,(H2,9,13,14)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406446
PNG
(CHEMBL107437)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)s1
Show InChI InChI=1S/C8H13NO3S3/c9-15(11,12)8-4-3-7(14-8)13-6-2-1-5-10/h3-4,10H,1-2,5-6H2,(H2,9,11,12)
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406461
PNG
(CHEMBL322223)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)c(F)c1
Show InChI InChI=1S/C9H12FNO3S2/c10-8-6-7(16(11,13)14)2-3-9(8)15-5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,13,14)
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n/an/a 3.5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406457
PNG
(CHEMBL319397)
Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCCCO
Show InChI InChI=1S/C10H14FNO5S2/c11-9-7-8(19(12,16)17)3-4-10(9)18(14,15)6-2-1-5-13/h3-4,7,13H,1-2,5-6H2,(H2,12,16,17)
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406442
PNG
(CHEMBL319239)
Show SMILES NS(=O)(=O)c1ccc(SCCCCCO)cc1
Show InChI InChI=1S/C11H17NO3S2/c12-17(14,15)11-6-4-10(5-7-11)16-9-3-1-2-8-13/h4-7,13H,1-3,8-9H2,(H2,12,14,15)
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n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406459
PNG
(CHEMBL104868)
Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCCO
Show InChI InChI=1S/C9H12FNO5S2/c10-8-6-7(18(11,15)16)2-3-9(8)17(13,14)5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,15,16)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406441
PNG
(CHEMBL320808)
Show SMILES COCC(=O)OCCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H15NO7S3/c1-17-7-8(12)18-5-2-6-20(13,14)9-3-4-10(19-9)21(11,15)16/h3-4H,2,5-7H2,1H3,(H2,11,15,16)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406448
PNG
(CHEMBL104666)
Show SMILES CC(=O)OCCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO6S3/c1-7(11)16-5-2-6-18(12,13)8-3-4-9(17-8)19(10,14)15/h3-4H,2,5-6H2,1H3,(H2,10,14,15)
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406431
PNG
(CHEMBL104929)
Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCO
Show InChI InChI=1S/C8H10FNO5S2/c9-7-5-6(17(10,14)15)1-2-8(7)16(12,13)4-3-11/h1-2,5,11H,3-4H2,(H2,10,14,15)
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406429
PNG
(CHEMBL104442)
Show SMILES CC(=O)OCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO6S3/c1-6(10)15-4-5-17(11,12)7-2-3-8(16-7)18(9,13)14/h2-3H,4-5H2,1H3,(H2,9,13,14)
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n/an/a 5.5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406449
PNG
(CHEMBL105725)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)CCCO
Show InChI InChI=1S/C7H11NO5S3/c8-16(12,13)7-3-2-6(14-7)15(10,11)5-1-4-9/h2-3,9H,1,4-5H2,(H2,8,12,13)
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n/an/a 6n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406440
PNG
(CHEMBL104463)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)CCO
Show InChI InChI=1S/C6H9NO5S3/c7-15(11,12)6-2-1-5(13-6)14(9,10)4-3-8/h1-2,8H,3-4H2,(H2,7,11,12)
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n/an/a 6n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406428
PNG
(CHEMBL105731)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCCO
Show InChI InChI=1S/C10H15NO5S2/c11-18(15,16)10-5-3-9(4-6-10)17(13,14)8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,15,16)
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406445
PNG
(CHEMBL105637)
Show SMILES NS(=O)(=O)c1ccc(CCCCCO)cc1
Show InChI InChI=1S/C11H17NO3S/c12-16(14,15)11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,1-4,9H2,(H2,12,14,15)
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406447
PNG
(CHEMBL107266)
Show SMILES NS(=O)(=O)c1ccc(SCCO)c(F)c1
Show InChI InChI=1S/C8H10FNO3S2/c9-7-5-6(15(10,12)13)1-2-8(7)14-4-3-11/h1-2,5,11H,3-4H2,(H2,10,12,13)
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406456
PNG
(CHEMBL107537)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)cc1
Show InChI InChI=1S/C10H15NO3S2/c11-16(13,14)10-5-3-9(4-6-10)15-8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,13,14)
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406460
PNG
(CHEMBL105607)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)c(Cl)c1
Show InChI InChI=1S/C9H12ClNO3S2/c10-8-6-7(16(11,13)14)2-3-9(8)15-5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,13,14)
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406430
PNG
(CHEMBL106683)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)s1
Show InChI InChI=1S/C7H11NO3S3/c8-14(10,11)7-3-2-6(13-7)12-5-1-4-9/h2-3,9H,1,4-5H2,(H2,8,10,11)
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406434
PNG
(CHEMBL104000)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO
Show InChI InChI=1S/C9H13NO5S2/c10-17(14,15)9-4-2-8(3-5-9)16(12,13)7-1-6-11/h2-5,11H,1,6-7H2,(H2,10,14,15)
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50017727
PNG
((R) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda...)
Show SMILES NS(=O)(=O)c1cc2C(O)CCS(=O)(=O)c2s1
Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406458
PNG
(CHEMBL316582)
Show SMILES NS(=O)(=O)c1ccc(CCCCO)cc1
Show InChI InChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)
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n/an/a 15n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406436
PNG
(CHEMBL104630)
Show SMILES CC(C)CNCCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C11H20N2O4S3/c1-9(2)8-13-6-3-7-19(14,15)10-4-5-11(18-10)20(12,16)17/h4-5,9,13H,3,6-8H2,1-2H3,(H2,12,16,17)
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n/an/a 18n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406435
PNG
(CHEMBL105688)
Show SMILES NS(=O)(=O)c1ccc(CCCO)c(F)c1
Show InChI InChI=1S/C9H12FNO3S/c10-9-6-8(15(11,13)14)4-3-7(9)2-1-5-12/h3-4,6,12H,1-2,5H2,(H2,11,13,14)
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406437
PNG
(CHEMBL321553)
Show SMILES COC(=O)c1cc(ccc1S(=O)(=O)CCCO)S(N)(=O)=O
Show InChI InChI=1S/C11H15NO7S2/c1-19-11(14)9-7-8(21(12,17)18)3-4-10(9)20(15,16)6-2-5-13/h3-4,7,13H,2,5-6H2,1H3,(H2,12,17,18)
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406427
PNG
(CHEMBL321889)
Show SMILES CC(C)(O)CCSc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H17NO3S2/c1-11(2,13)7-8-16-9-3-5-10(6-4-9)17(12,14)15/h3-6,13H,7-8H2,1-2H3,(H2,12,14,15)
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406439
PNG
(CHEMBL104311)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)cc1
Show InChI InChI=1S/C9H13NO3S2/c10-15(12,13)9-4-2-8(3-5-9)14-7-1-6-11/h2-5,11H,1,6-7H2,(H2,10,12,13)
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406455
PNG
(CHEMBL105730)
Show SMILES NS(=O)(=O)c1ccc(SCCO)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C8H10N2O5S2/c9-17(14,15)6-1-2-8(16-4-3-11)7(5-6)10(12)13/h1-2,5,11H,3-4H2,(H2,9,14,15)
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n/an/a 21n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406453
PNG
(CHEMBL108015)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C9H12N2O5S2/c10-18(15,16)7-2-3-9(17-5-1-4-12)8(6-7)11(13)14/h2-3,6,12H,1,4-5H2,(H2,10,15,16)
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n/an/a 23n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406424
PNG
(CHEMBL105691)
Show SMILES Nc1cc(ccc1S(=O)(=O)CCCO)S(N)(=O)=O
Show InChI InChI=1S/C9H14N2O5S2/c10-8-6-7(18(11,15)16)2-3-9(8)17(13,14)5-1-4-12/h2-3,6,12H,1,4-5,10H2,(H2,11,15,16)
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n/an/a 23n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406443
PNG
(CHEMBL104459)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO
Show InChI InChI=1S/C8H11NO5S2/c9-16(13,14)8-3-1-7(2-4-8)15(11,12)6-5-10/h1-4,10H,5-6H2,(H2,9,13,14)
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n/an/a 24n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406432
PNG
(CHEMBL319238)
Show SMILES CC(C)(O)CCS(=O)(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H17NO5S2/c1-11(2,13)7-8-18(14,15)9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,7-8H2,1-2H3,(H2,12,16,17)
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n/an/a 25n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406462
PNG
(CHEMBL104961)
Show SMILES COC(=O)c1cc(ccc1S(=O)(=O)CCO)S(N)(=O)=O
Show InChI InChI=1S/C10H13NO7S2/c1-18-10(13)8-6-7(20(11,16)17)2-3-9(8)19(14,15)5-4-12/h2-3,6,12H,4-5H2,1H3,(H2,11,16,17)
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n/an/a 30n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406454
PNG
(CHEMBL318951)
Show SMILES NS(=O)(=O)c1ccc(SCCO)s1
Show InChI InChI=1S/C6H9NO3S3/c7-13(9,10)6-2-1-5(12-6)11-4-3-8/h1-2,8H,3-4H2,(H2,7,9,10)
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n/an/a 30n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406452
PNG
(CHEMBL106848)
Show SMILES NS(=O)(=O)c1ccc(SCCO)cc1
Show InChI InChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)
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n/an/a 37n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406450
PNG
(CHEMBL104524)
Show SMILES Nc1cc(ccc1S(=O)(=O)CCO)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O5S2/c9-7-5-6(17(10,14)15)1-2-8(7)16(12,13)4-3-11/h1-2,5,11H,3-4,9H2,(H2,10,14,15)
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n/an/a 51n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406426
PNG
(CHEMBL105573)
Show SMILES NS(=O)(=O)c1ccc(CCCO)cc1
Show InChI InChI=1S/C9H13NO3S/c10-14(12,13)9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2,(H2,10,12,13)
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n/an/a 64n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406433
PNG
(CHEMBL319437)
Show SMILES COC(=O)c1cc(ccc1SCCCO)S(N)(=O)=O
Show InChI InChI=1S/C11H15NO5S2/c1-17-11(14)9-7-8(19(12,15)16)3-4-10(9)18-6-2-5-13/h3-4,7,13H,2,5-6H2,1H3,(H2,12,15,16)
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n/an/a 700n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406444
PNG
(CHEMBL316814)
Show SMILES NS(=O)(=O)c1ccc(c(c1)C(O)=O)S(=O)(=O)CCCO
Show InChI InChI=1S/C10H13NO7S2/c11-20(17,18)7-2-3-9(8(6-7)10(13)14)19(15,16)5-1-4-12/h2-3,6,12H,1,4-5H2,(H,13,14)(H2,11,17,18)
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n/an/a 900n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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


(Homo sapiens (human))
BDBM50406438
PNG
(CHEMBL105380)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)c(c1)C(O)=O
Show InChI InChI=1S/C10H13NO5S2/c11-18(15,16)7-2-3-9(17-5-1-4-12)8(6-7)10(13)14/h2-3,6,12H,1,4-5H2,(H,13,14)(H2,11,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


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