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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinol-binding protein 4' and Ligand = 'BDBM50026242'   
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))
BDBM50026242
PNG
(CHEMBL3359026)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)N[C@@H](C)C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N2O3/c1-10(16(24)25)22-17(26)23-8-12-6-11(7-13(12)9-23)14-4-2-3-5-15(14)18(19,20)21/h2-5,10-13H,6-9H2,1H3,(H,22,26)(H,24,25)/t10-,11-,12-,13+/m0/s1
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Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...


J Med Chem 57: 7731-57 (2014)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM50026242
PNG
(CHEMBL3359026)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)N[C@@H](C)C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N2O3/c1-10(16(24)25)22-17(26)23-8-12-6-11(7-13(12)9-23)14-4-2-3-5-15(14)18(19,20)21/h2-5,10-13H,6-9H2,1H3,(H,22,26)(H,24,25)/t10-,11-,12-,13+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.48E+3n/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Displacement of [3H]retinol from biotinylated human RBP4 by scintillation proximity assay


J Med Chem 57: 7731-57 (2014)


Article DOI: 10.1021/jm5010013
BindingDB Entry DOI: 10.7270/Q2FB54JT
More data for this
Ligand-Target Pair