Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50029260'   

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))	BDBM50029260 (Azepan-1-yl-{5-[4-(2-isopropoxy-phenyl)-piperazin-...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(s2)C(=O)N2CCCCCC2)CC1 Show InChI InChI=1S/C25H35N3O2S/c1-20(2)30-23-10-6-5-9-22(23)27-17-15-26(16-18-27)19-21-11-12-24(31-21)25(29)28-13-7-3-4-8-14-28/h5-6,9-12,20H,3-4,7-8,13-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	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 Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101				J Med Chem 38: 4198-210 (1995) BindingDB Entry DOI: 10.7270/Q2GX4C61
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