Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50185775'   

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))	BDBM50185775 (7-(1-(2,4-difluorophenethyl)piperazine-4-carbonyl)...) Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)c(F)c1 Show InChI InChI=1S/C22H20F2N4O/c23-17-5-4-15(20(24)12-17)6-7-27-8-10-28(11-9-27)22(29)19-3-1-2-18-16(13-25)14-26-21(18)19/h1-5,12,14,26H,6-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
					More data for this Ligand-Target Pair