BDBM50041029 (S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::4-Isopropylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::CHEMBL1204135::CHEMBL417975::MK-417::MK-927

SMILES CC(C)CN[C@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O

InChI Key InChIKey=JFLUCCKXAYBETQ-VIFPVBQESA-N

Data  4 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50041029   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50041029((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataKi:  0.600nMAssay Description:Tested for ability to compete with dansylamide for binding to human erythrocyte carbonic-anhydrase-II (HCA-II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50041029((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataKi:  0.610nMAssay Description:Compound was evaluated for the affinity towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50041029((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataKi:  0.700nMAssay Description:50% inhibitory concentration against human carbonic anhydrase II (HCA II) after pre-incubation for 4 min at 37 degree CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50041029((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataKi:  0.700nMAssay Description:The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase IIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50041029((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataIC50:  0.540nMAssay Description:Compound was evaluated for the inhibitory activity against Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50041029((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataIC50:  4nMAssay Description:Activity against human carbonic anhydrase IIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed