BDBM50226241 CHEMBL301749

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccnc(n1)N1CCOCC1

InChI Key: InChIKey=TYDSOZFAFVMBHD-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 = 50226241   

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))	BDBM50226241 (CHEMBL301749) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccnc(n1)N1CCOCC1 Show InChI InChI=1S/C22H28N8O3/c1-31-17-13-15-16(14-18(17)32-2)25-22(27-20(15)23)29-7-5-28(6-8-29)19-3-4-24-21(26-19)30-9-11-33-12-10-30/h3-4,13-14H,5-12H2,1-2H3,(H2,23,25,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	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 against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.				J Med Chem 30: 1794-8 (1987) BindingDB Entry DOI: 10.7270/Q2W0985N
					More data for this Ligand-Target Pair