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BDBM50245996 CHEMBL4091399

SMILES: COc1ccc(OC)c(c1)N1CCN(C(C)C1=O)C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=VBILMTNSWHFDNE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50245996   
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
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)		BDBM50245996
PNG
(CHEMBL4091399)
Show SMILES COc1ccc(OC)c(c1)N1CCN(C(C)C1=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O4/c1-13-19(24)23(17-12-16(26-2)8-9-18(17)27-3)11-10-22(13)20(25)14-4-6-15(21)7-5-14/h4-9,12-13H,10-11H2,1-3H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...

J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair