BDBM50086255 CHEMBL3425765

SMILES: CCN(c1ccc(OCC(C)C)c(c1)C(C)C)c1ccc(cn1)C(O)=O

InChI Key: InChIKey=QNFFQLHRCGJHHN-UHFFFAOYSA-N

Data: 1 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50086255   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50086255 (CHEMBL3425765) Show SMILES CCN(c1ccc(OCC(C)C)c(c1)C(C)C)c1ccc(cn1)C(O)=O Show InChI InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	169	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Agonist activity at RXRalpha (unknown origin) expressed in COS1 cells incubated for 18 hrs by luciferase reporter gene assay				ACS Med Chem Lett 6: 334-8 (2015) Article DOI: 10.1021/ml500511m BindingDB Entry DOI: 10.7270/Q25T3N7K
					More data for this Ligand-Target Pair				3D Structure (crystal)