BDBM50230867 CHEMBL2114065

SMILES: COc1cccc(c1)N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1

InChI Key: InChIKey=UAGNYVZZZZFXBQ-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 = 50230867   

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))	BDBM50230867 (CHEMBL2114065) Show SMILES COc1cccc(c1)N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16| Show InChI InChI=1S/C22H25N5O2/c1-29-18-6-4-5-16(13-18)26-11-9-25(10-12-26)15-17-14-23-21-19-7-2-3-8-20(19)24-22(28)27(17)21/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	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
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50230867 (CHEMBL2114065) Show SMILES COc1cccc(c1)N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16| Show InChI InChI=1S/C22H25N5O2/c1-29-18-6-4-5-16(13-18)26-11-9-25(10-12-26)15-17-14-23-21-19-7-2-3-8-20(19)24-22(28)27(17)21/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	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