BDBM50195282 CHEMBL3958316

SMILES: CCCCOc1cc2C3Cc4c(CN3CCc2cc1OC)[nH]c1ccc(OC)cc41

InChI Key: InChIKey=ZAHOPWJVSXXWCZ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50195282   

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))	BDBM50195282 (CHEMBL3958316) Show SMILES CCCCOc1cc2C3Cc4c(CN3CCc2cc1OC)[nH]c1ccc(OC)cc41 Show InChI InChI=1S/C25H30N2O3/c1-4-5-10-30-25-14-18-16(11-24(25)29-3)8-9-27-15-22-20(13-23(18)27)19-12-17(28-2)6-7-21(19)26-22/h6-7,11-12,14,23,26H,4-5,8-10,13,15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+3	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