Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM233046'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM233046 (2-[(2-Pyrrolo[2,3-c]pyridin-1-yl)ethyl]decahydropy...) Show SMILES C(Cn1ccc2ccncc12)N1CCCN2CCCCC2C1 Show InChI InChI=1S/C18H26N4/c1-2-9-21-10-3-8-20(15-17(21)4-1)12-13-22-11-6-16-5-7-19-14-18(16)22/h5-7,11,14,17H,1-4,8-10,12-13,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Orléans					Assay Description 1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...				J Enzyme Inhib Med Chem 25: 301-5 (2010) Article DOI: 10.3109/14756360903179393 BindingDB Entry DOI: 10.7270/Q2B85708
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