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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50515036'   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50515036
PNG
(CHEMBL4584267)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(COC(=O)CCCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C48H49F3N6O10S2/c1-27(2)38-24-56(31-10-8-28(25-58)41(20-31)69(3,63)64)17-18-57(38)45-53-23-29(43(55-45)48(49,50)51)26-65-42(61)7-5-4-6-16-52-46(68)54-30-9-13-35-34(19-30)44(62)67-47(35)36-14-11-32(59)21-39(36)66-40-22-33(60)12-15-37(40)47/h8-15,19-23,27,38,58-60H,4-7,16-18,24-26H2,1-3H3,(H2,52,54,68)/t38-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 49n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 30 mins by...

Eur J Med Chem 178: 458-467 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.011
BindingDB Entry DOI: 10.7270/Q2BC42WH
More data for this
Ligand-Target Pair