BDBM50203300 CHEMBL220660::benzyl 4-[(pyrazin-2-ylamino)methyl]piperidine-1-carboxylate

SMILES O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1

InChI Key InChIKey=KDHKDFONLOHKCA-UHFFFAOYSA-N

Data  1 KI  3 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 4 hits for monomerid = 50203300   

TargetGlutamate receptor ionotropic, NMDA 2B(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50203300(CHEMBL220660 | benzyl 4-[(pyrazin-2-ylamino)methyl...)
Affinity DataKi:  14nMAssay Description:Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50203300(CHEMBL220660 | benzyl 4-[(pyrazin-2-ylamino)methyl...)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50203300(CHEMBL220660 | benzyl 4-[(pyrazin-2-ylamino)methyl...)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50203300(CHEMBL220660 | benzyl 4-[(pyrazin-2-ylamino)methyl...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed