Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50083042'   

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))	BDBM50083042 (2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-cyclohe...) Show SMILES COc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccccc2C1=O |(18.26,-.38,;17.46,-1.71,;18.23,-3.06,;19.75,-3.08,;20.5,-4.43,;19.72,-5.74,;18.18,-5.72,;17.42,-4.37,;15.89,-4.34,;15.15,-2.99,;13.58,-2.96,;12.81,-4.3,;13.54,-5.66,;15.1,-5.68,;11.26,-4.28,;10.5,-2.92,;8.96,-2.92,;8.16,-4.24,;8.93,-5.59,;10.47,-5.61,;6.62,-4.21,;5.75,-5.49,;6.26,-6.94,;4.28,-5.07,;2.98,-5.88,;1.61,-5.14,;1.57,-3.6,;2.89,-2.8,;4.24,-3.53,;5.69,-2.99,;6.1,-1.52,)| Show InChI InChI=1S/C25H29N3O3/c1-31-23-9-5-4-8-22(23)27-16-14-26(15-17-27)18-10-12-19(13-11-18)28-24(29)20-6-2-3-7-21(20)25(28)30/h2-9,18-19H,10-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor				J Med Chem 42: 4952-60 (2000) BindingDB Entry DOI: 10.7270/Q2833R7H
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