BDBM50227372 CHEMBL8585

SMILES: COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1nccc(n1)N(C)C

InChI Key: InChIKey=CNBQVDWYYMQIOM-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 = 50227372   

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))	BDBM50227372 (CHEMBL8585) Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1nccc(n1)N(C)C Show InChI InChI=1S/C21H27N7O2/c1-26(2)19-5-6-23-21(25-19)28-9-7-27(8-10-28)20-12-15(22)14-11-17(29-3)18(30-4)13-16(14)24-20/h5-6,11-13H,7-10H2,1-4H3,(H2,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	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 towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin				J Med Chem 31: 1031-5 (1988) BindingDB Entry DOI: 10.7270/Q29W0HPJ
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50227372 (CHEMBL8585) Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1nccc(n1)N(C)C Show InChI InChI=1S/C21H27N7O2/c1-26(2)19-5-6-23-21(25-19)28-9-7-27(8-10-28)20-12-15(22)14-11-17(29-3)18(30-4)13-16(14)24-20/h5-6,11-13H,7-10H2,1-4H3,(H2,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	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 towards alpha-2 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]clonidine				J Med Chem 31: 1031-5 (1988) BindingDB Entry DOI: 10.7270/Q29W0HPJ
					More data for this Ligand-Target Pair