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BDBM50399693 CHEMBL2178935

SMILES: Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1

InChI Key: InChIKey=AUAYEZNPJOOJDS-SHTZXODSSA-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 = 50399693   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50399693
PNG
(CHEMBL2178935)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1 |r,wU:17.18,wD:20.22,(3.49,-36.66,;4.82,-35.89,;6.16,-36.66,;7.49,-35.89,;8.83,-36.66,;7.49,-34.35,;6.16,-33.58,;4.82,-34.35,;3.49,-33.58,;2.16,-34.34,;3.49,-32.04,;8.82,-33.59,;10.16,-34.36,;11.49,-33.58,;11.49,-32.03,;10.15,-31.27,;8.82,-32.04,;12.82,-31.26,;12.81,-29.73,;14.15,-28.95,;15.49,-29.72,;16.82,-28.95,;18.15,-29.72,;19.49,-28.95,;18.15,-31.26,;15.48,-31.26,;14.16,-32.03,)|
Show InChI InChI=1S/C21H26N4O2/c1-12-19(25-20(21(23)27)13(2)24-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(22)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,26)(H2,23,27)/t14-,15-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399693
PNG
(CHEMBL2178935)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1 |r,wU:17.18,wD:20.22,(3.49,-36.66,;4.82,-35.89,;6.16,-36.66,;7.49,-35.89,;8.83,-36.66,;7.49,-34.35,;6.16,-33.58,;4.82,-34.35,;3.49,-33.58,;2.16,-34.34,;3.49,-32.04,;8.82,-33.59,;10.16,-34.36,;11.49,-33.58,;11.49,-32.03,;10.15,-31.27,;8.82,-32.04,;12.82,-31.26,;12.81,-29.73,;14.15,-28.95,;15.49,-29.72,;16.82,-28.95,;18.15,-29.72,;19.49,-28.95,;18.15,-31.26,;15.48,-31.26,;14.16,-32.03,)|
Show InChI InChI=1S/C21H26N4O2/c1-12-19(25-20(21(23)27)13(2)24-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(22)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,26)(H2,23,27)/t14-,15-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 520n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair