BDBM80575 (4R,5R,6R)-1-ethyl-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid methyl ester::MLS000829978::SMR000672032::cid_24789260::methyl (4R,5R,6R)-1-ethyl-2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylate

SMILES CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC

InChI Key InChIKey=ZMJWBXJXYUSYAW-ZQMYSKGWSA-N

Data  2 IC50  1 EC50

  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 3 hits for monomerid = 80575   

TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80575((4R,5R,6R)-1-ethyl-2-[2-(1H-indol-3-yl)ethylamino]...)
Affinity DataIC50:  6.29E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHigh affinity choline transporter 1(Homo sapiens (Human))
Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay
LigandPNGBDBM80575((4R,5R,6R)-1-ethyl-2-[2-(1H-indol-3-yl)ethylamino]...)
Affinity DataEC50:  1.30E+4nMAssay Description:Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80575((4R,5R,6R)-1-ethyl-2-[2-(1H-indol-3-yl)ethylamino]...)
Affinity DataIC50:  8.65E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay