BDBM50103131 1-[(S)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4-methyl-benzyl)-piperidin-4-ol::CHEMBL69967

SMILES: Cc1ccc(CC2(O)CCN(C[C@@H](O)Cc3ccc(O)cc3)CC2)cc1

InChI Key: InChIKey=MAQRRFANFOCRSD-NRFANRHFSA-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 = 50103131   

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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50103131 (1-[(S)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4...) Show SMILES Cc1ccc(CC2(O)CCN(C[C@@H](O)Cc3ccc(O)cc3)CC2)cc1 Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]-prazosin radioligand				Bioorg Med Chem Lett 11: 2173-6 (2001) BindingDB Entry DOI: 10.7270/Q2GF0SS8
					More data for this Ligand-Target Pair