BDBM50472725 CHEMBL90588::CHIR-2279

SMILES: NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=JAOKSQLUELFTBL-UHFFFAOYSA-N

Data: 1 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50472725   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 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))	BDBM50472725 (CHEMBL90588 | CHIR-2279) Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H36N4O4/c35-32(40)24-37(22-20-26-7-3-1-4-8-26)34(42)25-38(30-15-13-29(14-16-30)28-9-5-2-6-10-28)33(41)23-36-21-19-27-11-17-31(39)18-12-27/h1-18,36,39H,19-25H2,(H2,35,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem, Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity against alpha-1 adrenergic receptor				J Med Chem 43: 2770-4 (2000) Article DOI: 10.1021/jm990578n BindingDB Entry DOI: 10.7270/Q23R0WMZ
					More data for this Ligand-Target Pair