BDBM50230871 CHEMBL307961

SMILES: COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3)CN12

InChI Key: InChIKey=AQFNDEWRDMRIMD-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50230871   

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/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230871 (CHEMBL307961) Show SMILES COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3)CN12 |t:2,11| Show InChI InChI=1S/C22H25N5O/c1-28-22-24-20-10-6-5-9-19(20)21-23-17(16-27(21)22)15-25-11-13-26(14-12-25)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50230871 (CHEMBL307961) Show SMILES COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3)CN12 |t:2,11| Show InChI InChI=1S/C22H25N5O/c1-28-22-24-20-10-6-5-9-19(20)21-23-17(16-27(21)22)15-25-11-13-26(14-12-25)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	952	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-2 adrenergic receptor by measuring displacement of [3H]clonidine from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair