BDBM50290754 9-(3-{Benzyl-[2-(2-methoxy-phenoxy)-ethyl]-amino}-propionyl)-3-methyl-6,7,8,9-tetrahydro-3H-5-oxa-2,3,9-triaza-benzocyclohepten-4-one::CHEMBL316929

SMILES: COc1ccccc1OCCN(CCC(=O)N1CCCOc2c1cnn(C)c2=O)Cc1ccccc1

InChI Key: InChIKey=ZFELGOISQWHLQY-UHFFFAOYSA-N

Data: 1 IC50

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 = 50290754   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50290754 (9-(3-{Benzyl-[2-(2-methoxy-phenoxy)-ethyl]-amino}-...) Show SMILES COc1ccccc1OCCN(CCC(=O)N1CCCOc2c1cnn(C)c2=O)Cc1ccccc1 Show InChI InChI=1S/C27H32N4O5/c1-29-27(33)26-22(19-28-29)31(14-8-17-36-26)25(32)13-15-30(20-21-9-4-3-5-10-21)16-18-35-24-12-7-6-11-23(24)34-2/h3-7,9-12,19H,8,13-18,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor using receptor binding assay				Bioorg Med Chem Lett 7: 2857-2862 (1997) Article DOI: 10.1016/S0960-894X(97)10089-0 BindingDB Entry DOI: 10.7270/Q2NP24D6
					More data for this Ligand-Target Pair