BDBM50203301 CHEMBL435316::benzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate

SMILES O=C(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1

InChI Key InChIKey=RBKBGIONDAWNLO-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 = 50203301   

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

Curated by ChEMBL
LigandPNGBDBM50203301(CHEMBL435316 | benzyl 4-[(2-pyrimidinylamino)methy...)
Affinity DataKi:  23nMAssay 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
LigandPNGBDBM50203301(CHEMBL435316 | benzyl 4-[(2-pyrimidinylamino)methy...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP3A4 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
LigandPNGBDBM50203301(CHEMBL435316 | benzyl 4-[(2-pyrimidinylamino)methy...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C9 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
LigandPNGBDBM50203301(CHEMBL435316 | benzyl 4-[(2-pyrimidinylamino)methy...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed