BDBM50195269 CHEMBL3985901

SMILES: Cn1c2CN3CCc4cc5OCOc5cc4C3Cc2c2ccccc12

InChI Key: InChIKey=PSSDQZMRAAKBRL-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 = 50195269   

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))	BDBM50195269 (CHEMBL3985901) Show SMILES Cn1c2CN3CCc4cc5OCOc5cc4C3Cc2c2ccccc12 Show InChI InChI=1S/C21H20N2O2/c1-22-17-5-3-2-4-14(17)16-9-18-15-10-21-20(24-12-25-21)8-13(15)6-7-23(18)11-19(16)22/h2-5,8,10,18H,6-7,9,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+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