BDBM50195285 CHEMBL3977758

SMILES: COc1ccc2[nH]c3CN4CCc5cc(OCc6ccccc6)c(OC)cc5C4Cc3c2c1

InChI Key: InChIKey=QFBYSKYBQKJNBV-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 = 50195285   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50195285 (CHEMBL3977758) Show SMILES COc1ccc2[nH]c3CN4CCc5cc(OCc6ccccc6)c(OC)cc5C4Cc3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-31-20-8-9-24-22(13-20)23-14-26-21-15-27(32-2)28(33-17-18-6-4-3-5-7-18)12-19(21)10-11-30(26)16-25(23)29-24/h3-9,12-13,15,26,29H,10-11,14,16-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human full-length N-terminal SNAP-tagged alpha1A adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...				J Med Chem 59: 9489-9502 (2016) Article DOI: 10.1021/acs.jmedchem.6b01217 BindingDB Entry DOI: 10.7270/Q2TB18VD
					More data for this Ligand-Target Pair