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BDBM50501906 CHEMBL4583814

SMILES: CCn1nc(C(=O)N2CCC(CC2)c2ccccc2C(F)(F)F)c2ccc(F)cc12

InChI Key: InChIKey=NHXWBJFQTYKGOB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501906   
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))		BDBM50501906
PNG
(CHEMBL4583814)
Show SMILES CCn1nc(C(=O)N2CCC(CC2)c2ccccc2C(F)(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C22H21F4N3O/c1-2-29-19-13-15(23)7-8-17(19)20(27-29)21(30)28-11-9-14(10-12-28)16-5-3-4-6-18(16)22(24,25)26/h3-8,13-14H,2,9-12H2,1H3
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n/an/a 9.5n/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