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BDBM50501933 CHEMBL4559814

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

InChI Key: InChIKey=ZCEIWUQKRKASFK-ZSOGYDGISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501933   
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))		BDBM50501933
PNG
(CHEMBL4559814)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(F)cn12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H18F4N4O/c22-15-5-6-18-26-27-19(29(18)11-15)20(30)28-9-13-7-12(8-14(13)10-28)16-3-1-2-4-17(16)21(23,24)25/h1-6,11-14H,7-10H2/t12-,13-,14+
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PC cid
PC sid
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Article
PubMed
n/an/a 4.10n/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