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SMILES: CC1(C)C(OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1

InChI Key: InChIKey=RONKTULUXKEMAL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50246064   
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)		BDBM50246064
PNG
(CHEMBL4062788)
Show SMILES CC1(C)C(OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2O2/c1-18(2)16(13-6-8-14(19)9-7-13)23-17(22)21(18)15-5-3-4-12(10-15)11-20/h3-10,16H,1-2H3
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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