BDBM50227382 CHEMBL8588

SMILES: COc1cc2cc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1

InChI Key: InChIKey=QMSHQGHMKHHBQC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50227382   

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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227382 (CHEMBL8588) Show SMILES COc1cc2cc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C20H22N4O4/c1-26-16-10-13-11-18(22-19(21)14(13)12-17(16)27-2)23-5-7-24(8-6-23)20(25)15-4-3-9-28-15/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin				J Med Chem 31: 1036-9 (1988) BindingDB Entry DOI: 10.7270/Q2639RZK
					More data for this Ligand-Target Pair