new BindingDB logo
myBDB logout

BDBM50399711 CHEMBL2178952

SMILES: NC(=O)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=AUECBVLPZXQSAX-JOCQHMNTSA-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 = 50399711   
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))
BDBM50399711
PNG
(CHEMBL2178952)
Show SMILES NC(=O)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:15.16,wD:18.20,(41.53,-9,;42.87,-8.23,;42.87,-6.69,;44.2,-9,;44.2,-10.54,;45.54,-11.32,;46.87,-10.54,;46.87,-9.01,;45.53,-8.24,;48.2,-8.24,;49.53,-9.01,;50.87,-8.24,;50.86,-6.69,;49.53,-5.93,;48.2,-6.7,;52.2,-5.92,;52.19,-4.38,;53.53,-3.61,;54.86,-4.38,;56.2,-3.61,;57.53,-4.38,;58.86,-3.61,;57.53,-5.92,;54.86,-5.92,;53.53,-6.69,)|
Show InChI InChI=1S/C19H21N3O3/c20-19(25)17-11-21-10-16(22-17)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-18(23)24/h5-8,10-13H,1-4,9H2,(H2,20,25)(H,23,24)/t12-,13-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50399711
PNG
(CHEMBL2178952)
Show SMILES NC(=O)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:15.16,wD:18.20,(41.53,-9,;42.87,-8.23,;42.87,-6.69,;44.2,-9,;44.2,-10.54,;45.54,-11.32,;46.87,-10.54,;46.87,-9.01,;45.53,-8.24,;48.2,-8.24,;49.53,-9.01,;50.87,-8.24,;50.86,-6.69,;49.53,-5.93,;48.2,-6.7,;52.2,-5.92,;52.19,-4.38,;53.53,-3.61,;54.86,-4.38,;56.2,-3.61,;57.53,-4.38,;58.86,-3.61,;57.53,-5.92,;54.86,-5.92,;53.53,-6.69,)|
Show InChI InChI=1S/C19H21N3O3/c20-19(25)17-11-21-10-16(22-17)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-18(23)24/h5-8,10-13H,1-4,9H2,(H2,20,25)(H,23,24)/t12-,13-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+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