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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 = 'BDBM50026258'   
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))
BDBM50026258
PNG
(CHEMBL3359022)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+
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PC cid
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Article
PubMed
n/an/a 0.179n/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))
BDBM50026258
PNG
(CHEMBL3359022)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+
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 19n/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