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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 = 'BDBM50026247'   
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))
BDBM50026247
PNG
(CHEMBL3358464)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)Nc1ccccc1C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C23H24F3N3O4S/c24-23(25,26)19-7-3-1-5-17(19)15-11-13-29(14-12-15)22(31)27-20-8-4-2-6-18(20)21(30)28-34(32,33)16-9-10-16/h1-8,15-16H,9-14H2,(H,27,31)(H,28,30)
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PC cid
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Similars

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))
BDBM50026247
PNG
(CHEMBL3358464)
Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)Nc1ccccc1C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C23H24F3N3O4S/c24-23(25,26)19-7-3-1-5-17(19)15-11-13-29(14-12-15)22(31)27-20-8-4-2-6-18(20)21(30)28-34(32,33)16-9-10-16/h1-8,15-16H,9-14H2,(H,27,31)(H,28,30)
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 244n/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