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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 = 'BDBM50501923'   
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))
BDBM50501923
PNG
(CHEMBL4474669)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cn2nc(ccc2n1)N1CCCC1
Show InChI InChI=1S/C23H24F3N5O/c24-23(25,26)18-6-2-1-5-17(18)16-9-13-30(14-10-16)22(32)19-15-31-20(27-19)7-8-21(28-31)29-11-3-4-12-29/h1-2,5-8,15-16H,3-4,9-14H2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis


J Med Chem 62: 5470-5500 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00352
BindingDB Entry DOI: 10.7270/Q290272Z
More data for this
Ligand-Target Pair