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BDBM50501896 CHEMBL4569872

SMILES: [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(cn12)C#N)c1ccccc1C(F)(F)F

InChI Key: InChIKey=QPYKDPGZDZWASC-PHZGNYQRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501896   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Retinol-binding protein 4


(Homo sapiens (Human))		BDBM50501896
PNG
(CHEMBL4569872)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(cn12)C#N)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)18-4-2-1-3-17(18)14-7-15-11-29(12-16(15)8-14)21(31)20-28-27-19-6-5-13(9-26)10-30(19)20/h1-6,10,14-16H,7-8,11-12H2/t14-,15-,16+
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Article
PubMed
n/an/a 6n/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
More data for this
Ligand-Target Pair