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BDBM50399713 CHEMBL2178950

SMILES: Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O)C(N)=O

InChI Key: InChIKey=VTFSQAMIYVLXMY-CTYIDZIISA-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 = 50399713   
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))
BDBM50399713
PNG
(CHEMBL2178950)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O)C(N)=O |r,wU:13.14,wD:16.21,(8.54,-10.7,;7.21,-9.94,;5.88,-10.71,;4.54,-9.94,;4.54,-8.4,;5.87,-7.63,;7.2,-8.4,;8.53,-7.63,;9.87,-8.4,;11.21,-7.63,;11.2,-6.08,;9.87,-5.32,;8.54,-6.09,;12.53,-5.31,;12.52,-3.77,;13.86,-3,;15.2,-3.77,;15.2,-5.31,;13.87,-6.08,;16.53,-3,;17.86,-3.77,;16.53,-1.46,;3.2,-7.62,;1.87,-8.39,;3.21,-6.08,)|
Show InChI InChI=1S/C19H21N3O3/c1-11-17(22-16(10-21-11)18(20)23)14-6-2-12(3-7-14)13-4-8-15(9-5-13)19(24)25/h2-3,6-7,10,13,15H,4-5,8-9H2,1H3,(H2,20,23)(H,24,25)/t13-,15-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+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))
BDBM50399713
PNG
(CHEMBL2178950)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O)C(N)=O |r,wU:13.14,wD:16.21,(8.54,-10.7,;7.21,-9.94,;5.88,-10.71,;4.54,-9.94,;4.54,-8.4,;5.87,-7.63,;7.2,-8.4,;8.53,-7.63,;9.87,-8.4,;11.21,-7.63,;11.2,-6.08,;9.87,-5.32,;8.54,-6.09,;12.53,-5.31,;12.52,-3.77,;13.86,-3,;15.2,-3.77,;15.2,-5.31,;13.87,-6.08,;16.53,-3,;17.86,-3.77,;16.53,-1.46,;3.2,-7.62,;1.87,-8.39,;3.21,-6.08,)|
Show InChI InChI=1S/C19H21N3O3/c1-11-17(22-16(10-21-11)18(20)23)14-6-2-12(3-7-14)13-4-8-15(9-5-13)19(24)25/h2-3,6-7,10,13,15H,4-5,8-9H2,1H3,(H2,20,23)(H,24,25)/t13-,15-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/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