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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinol-binding protein 4' and Ligand = 'BDBM50104194'   
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
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50104194
PNG
(CHEMBL3593537)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cccc(F)c1C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N3O2/c1-10-5-16(18(28)29)26-19(25-10)27-8-12-6-11(7-13(12)9-27)14-3-2-4-15(21)17(14)20(22,23)24/h2-5,11-13H,6-9H2,1H3,(H,28,29)/t11-,12-,13+
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Similars

Article
PubMed
n/an/a 196n/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay


J Med Chem 58: 5863-88 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F
More data for this
Ligand-Target Pair