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BDBM50020075 CHEMBL3287870

SMILES: N[C@H](C(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)c1ccccc1

InChI Key: InChIKey=FTNMZIMAMHKVSB-WURXVLGASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020075   
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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))		BDBM50020075
PNG
(CHEMBL3287870)
Show SMILES N[C@H](C(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)c1ccccc1 |r,wU:20.22,1.0,wD:23.26,(6.93,-14.91,;6.88,-13.38,;8.19,-12.57,;9.54,-13.3,;8.14,-11.04,;6.78,-10.3,;6.74,-8.75,;8.06,-7.95,;9.41,-8.68,;10.72,-7.86,;12.07,-8.59,;12.13,-10.13,;10.82,-10.94,;9.45,-10.23,;13.38,-7.78,;13.33,-6.24,;14.63,-5.43,;15.99,-6.15,;16.04,-7.69,;14.74,-8.5,;17.3,-5.33,;17.25,-3.8,;18.55,-2.98,;19.91,-3.7,;21.22,-2.89,;22.58,-3.62,;23.88,-2.8,;22.63,-5.15,;19.96,-5.25,;18.65,-6.06,;5.53,-12.65,;5.5,-11.12,;4.15,-10.39,;2.84,-11.2,;2.89,-12.74,;4.24,-13.46,)|
Show InChI InChI=1S/C30H32N2O4/c31-29(24-4-2-1-3-5-24)30(35)32-16-17-36-27-19-25(14-15-26(27)32)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-28(33)34/h1-5,10-15,19-21,29H,6-9,16-18,31H2,(H,33,34)/t20-,21-,29-/m0/s1
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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting an...

ACS Med Chem Lett 5: 544-9 (2014)


Article DOI: 10.1021/ml400527n
BindingDB Entry DOI: 10.7270/Q2KS6T3C
More data for this
Ligand-Target Pair