Compile Data Set for Download or QSAR
Found 14 Enz. Inhib. hit(s) with all data for entry = 50042616
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM10880(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
Affinity DataKi:  12nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM50428472(CARBONOTRITHIOIC ACID | Carbonotrithioate)
Show SMILES SC(S)=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)
Affinity DataKi:  8.80E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26990(CHEMBL1644699 | HS anion | HS(-1) | hydrogen(sulfi...)
Show InChI InChI=1S/H2S/h1H2/p-1
Affinity DataKi:  4.00E+4nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM50428473(CHEMBL2079226 | Isoselenocyanate)
Show SMILES [SeH]C#N
Show InChI InChI=1S/CHNSe/c2-1-3/h3H
Affinity DataKi:  8.60E+4nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26994(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
Affinity DataKi:  3.90E+5nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26983(CHEMBL1644028 | SCN(-1) | Thiocyanate | cyanosulfa...)
Show SMILES [N-]=C=S
Show InChI InChI=1S/CNS/c2-1-3/q-1
Affinity DataKi:  1.60E+6nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM50428474(DITIOCARB | Diethyldithiocarbamate)
Show SMILES CCN(CC)C(S)=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)
Affinity DataKi:  3.10E+6nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26981(CHEMBL1644695 | I- | POTASSIUM IODIDE | iodide | i...)
Show InChI InChI=1S/HI/h1H/p-1
Affinity DataKi:  2.60E+7nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26980(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show InChI InChI=1S/BrH/h1H/p-1
Affinity DataKi:  6.30E+7nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26986(CHEMBL363707 | HCO3- | SODIUM BICARBONATE | bicarb...)
Show SMILES OC([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
Affinity DataKi:  8.50E+7nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26991(CHEMBL1689285 | HSO3- | bisulfite | hydrogen sulfi...)
Show SMILES OS([O-])=O
Show InChI InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
Affinity DataKi:  8.90E+7nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26979(CHEMBL69710 | Cl- | POTASSIUM CHLORIDE | SODIUM CH...)
Show InChI InChI=1S/ClH/h1H/p-1
Affinity DataKi:  2.00E+8nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26978(BDBM50098540 | CHEMBL1528 | CHEMBL1644027 | F- | f...)
Show InChI InChI=1S/FH/h1H/p-1
Affinity DataKi: >3.00E+8nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL
LigandPNGBDBM26992(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
Affinity DataKi: >3.00E+8nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair