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Compile Data Set for Download or QSAR

Found 1 hit of kd data for polymerid = 50004046,50004048,50004429   
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)		BDBM50535222
PNG
(CHEMBL4439992)
Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.70n/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to D5D in Sprague-Dawley rat liver microsomes after 150 mins by liquid scintillation counting

ACS Med Chem Lett 7: 868-72 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00241
BindingDB Entry DOI: 10.7270/Q2FN19QQ
More data for this
Ligand-Target Pair