BDBM50366823 Anzemet CINV::DOLASETRON

SMILES O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12

InChI Key InChIKey=UKTAZPQNNNJVKR-CEUNDQEZSA-N

Data  4 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50366823   

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
CASMedChem Laboratory

Curated by ChEMBL
LigandPNGBDBM50366823(Anzemet CINV | DOLASETRON)
Show SMILES O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13-,14?/m1/s1
Affinity DataIC50: 6.03E+3nMAssay Description:Inhibition of human ERG in MCF7 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
CASMedChem Laboratory

Curated by ChEMBL
LigandPNGBDBM50366823(Anzemet CINV | DOLASETRON)
Show SMILES O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13-,14?/m1/s1
Affinity DataIC50: 5.95E+3nMAssay Description:K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
CASMedChem Laboratory

Curated by ChEMBL
LigandPNGBDBM50366823(Anzemet CINV | DOLASETRON)
Show SMILES O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13-,14?/m1/s1
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniqueMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
CASMedChem Laboratory

Curated by ChEMBL
LigandPNGBDBM50366823(Anzemet CINV | DOLASETRON)
Show SMILES O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13-,14?/m1/s1
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibitory concentration against potassium channel HERGMore data for this Ligand-Target Pair