Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50173096'   

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 (Homo sapiens (Human))	BDBM50173096 (4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human 5-HT2A receptor using [3H]5-carboximidotryptamine as radioligand				Bioorg Med Chem Lett 15: 4786-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.024 BindingDB Entry DOI: 10.7270/Q2NP23ZZ
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