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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50399681   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399681
PNG
(CHEMBL2178947)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1 |r,wD:18.18,21.23,(18.55,-22.65,;19.88,-21.88,;21.22,-22.65,;22.55,-21.88,;23.89,-22.64,;22.55,-20.34,;21.22,-19.57,;19.88,-20.34,;18.55,-19.56,;17.22,-20.33,;18.55,-18.02,;23.88,-19.57,;23.88,-18.03,;25.21,-17.26,;26.55,-18.02,;26.56,-19.56,;28.03,-20.03,;28.93,-18.78,;28.01,-17.53,;26.91,-16.45,;27.31,-14.96,;28.79,-14.56,;29.19,-13.07,;30.68,-12.67,;31.77,-13.75,;31.07,-11.18,;29.88,-15.65,;29.49,-17.13,;25.21,-20.34,)|
Show InChI InChI=1S/C23H27N3O3/c1-13-20(26-21(22(24)29)14(2)25-13)17-3-4-18-16(12-17)7-10-23(18)8-5-15(6-9-23)11-19(27)28/h3-4,12,15H,5-11H2,1-2H3,(H2,24,29)(H,27,28)/t15-,23-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50399681
PNG
(CHEMBL2178947)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1 |r,wD:18.18,21.23,(18.55,-22.65,;19.88,-21.88,;21.22,-22.65,;22.55,-21.88,;23.89,-22.64,;22.55,-20.34,;21.22,-19.57,;19.88,-20.34,;18.55,-19.56,;17.22,-20.33,;18.55,-18.02,;23.88,-19.57,;23.88,-18.03,;25.21,-17.26,;26.55,-18.02,;26.56,-19.56,;28.03,-20.03,;28.93,-18.78,;28.01,-17.53,;26.91,-16.45,;27.31,-14.96,;28.79,-14.56,;29.19,-13.07,;30.68,-12.67,;31.77,-13.75,;31.07,-11.18,;29.88,-15.65,;29.49,-17.13,;25.21,-20.34,)|
Show InChI InChI=1S/C23H27N3O3/c1-13-20(26-21(22(24)29)14(2)25-13)17-3-4-18-16(12-17)7-10-23(18)8-5-15(6-9-23)11-19(27)28/h3-4,12,15H,5-11H2,1-2H3,(H2,24,29)(H,27,28)/t15-,23-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/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