BDBM50290768 9-{2-[2-(2-Methoxy-phenoxy)-ethylamino]-propionyl}-3-methyl-6,7,8,9-tetrahydro-3H-5-oxa-2,3,9-triaza-benzocyclohepten-4-one::CHEMBL95744

SMILES: COc1ccccc1OCCNC(C)C(=O)N1CCCOc2c1cnn(C)c2=O

InChI Key: InChIKey=VALIJJBUENOTBI-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 = 50290768   

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))	BDBM50290768 (9-{2-[2-(2-Methoxy-phenoxy)-ethylamino]-propionyl}...) Show SMILES COc1ccccc1OCCNC(C)C(=O)N1CCCOc2c1cnn(C)c2=O Show InChI InChI=1S/C20H26N4O5/c1-14(21-9-12-28-17-8-5-4-7-16(17)27-3)19(25)24-10-6-11-29-18-15(24)13-22-23(2)20(18)26/h4-5,7-8,13-14,21H,6,9-12H2,1-3H3	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