Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50064548'   

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))	BDBM50064548 (Azepan-1-yl-{3-[4-(2-isopropoxy-phenyl)-piperazin-...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCCC2)CC1 Show InChI InChI=1S/C27H37N3O2/c1-22(2)32-26-13-6-5-12-25(26)29-18-16-28(17-19-29)21-23-10-9-11-24(20-23)27(31)30-14-7-3-4-8-15-30/h5-6,9-13,20,22H,3-4,7-8,14-19,21H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex				J Med Chem 41: 1997-2009 (1998) Article DOI: 10.1021/jm970164z BindingDB Entry DOI: 10.7270/Q2KK9CG0
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