BindingDB logo
myBDB logout

BDBM50501902 CHEMBL4457350

SMILES: Fc1ccc2c(n[nH]c2c1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F

InChI Key: InChIKey=AYYPNYNIRYZYMN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501902   
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))		BDBM50501902
PNG
(CHEMBL4457350)
Show SMILES Fc1ccc2c(n[nH]c2c1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H17F4N3O/c21-13-5-6-15-17(11-13)25-26-18(15)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/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