BindingDB logo
myBDB logout

BDBM80664 (4R,5R,6R)-1-ethyl-2-(2-methoxyethylamino)-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylic acid methyl ester::MLS000829797::SMR000671991::cid_24871332::methyl (4R,5R,6R)-1-ethyl-2-(2-methoxyethylamino)-6-methyl-4-phenyl-5,6-dihydro-4H-pyrimidine-5-carboxylate

SMILES: CCN1[C@H](C)[C@H]([C@@H](N=C1NCCOC)c1ccccc1)C(=O)OC

InChI Key: InChIKey=XABZTVRZBZFTFX-BMFZPTHFSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80664   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80664
PNG
((4R,5R,6R)-1-ethyl-2-(2-methoxyethylamino)-6-methy...)
Show SMILES CCN1[C@H](C)[C@H]([C@@H](N=C1NCCOC)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C18H27N3O3/c1-5-21-13(2)15(17(22)24-4)16(14-9-7-6-8-10-14)20-18(21)19-11-12-23-3/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,19,20)/t13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.28E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80664
PNG
((4R,5R,6R)-1-ethyl-2-(2-methoxyethylamino)-6-methy...)
Show SMILES CCN1[C@H](C)[C@H]([C@@H](N=C1NCCOC)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C18H27N3O3/c1-5-21-13(2)15(17(22)24-4)16(14-9-7-6-8-10-14)20-18(21)19-11-12-23-3/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,19,20)/t13-,15-,16+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.47E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair