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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesterol 24-hydroxylase' and Ligand = 'BDBM50540106'   
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
Cholesterol 24-hydroxylase


(Homo sapiens (Human))		BDBM50540106
PNG
(CHEMBL3344478)
Show SMILES FC(F)(F)[C@]1(OCNc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H11ClF3NO/c15-10-3-4-12-11(7-10)13(14(16,17)18,20-8-19-12)6-5-9-1-2-9/h3-4,7,9,19H,1-2,8H2/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8.90E+3n/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...

J Med Chem 63: 6477-6488 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01383
BindingDB Entry DOI: 10.7270/Q2V40ZR6
More data for this
Ligand-Target Pair