BDBM50203302 CHEMBL218068::benzyl 4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate

SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1

InChI Key InChIKey=YCMQHZLCRNKFNN-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50203302   

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

Curated by ChEMBL
LigandPNGBDBM50203302(CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...)
Affinity DataKi:  75nMAssay 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
LigandPNGBDBM50203302(CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...)
Affinity DataIC50:  5.10E+3nMAssay 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
LigandPNGBDBM50203302(CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...)
Affinity DataIC50:  1.30E+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
LigandPNGBDBM50203302(CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...)
Affinity DataIC50:  500nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed