BDBM50158080 CHEMBL3779935

SMILES: CC1(C)CCC(C)(C)c2cc3c(OC4CCCC34c3ccc(cc3)C(O)=O)cc12

InChI Key: InChIKey=PLLRIXHLFVZTMU-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 = 50158080   

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))	BDBM50158080 (CHEMBL3779935) Show SMILES CC1(C)CCC(C)(C)c2cc3c(OC4CCCC34c3ccc(cc3)C(O)=O)cc12 Show InChI InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)	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 PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene ass...				J Med Chem 59: 1232-8 (2016) BindingDB Entry DOI: 10.7270/Q2X63PT7
					More data for this Ligand-Target Pair				3D Structure (crystal)