Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50007690'   

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 2A (Rattus norvegicus (rat))	BDBM50007690 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
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