Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50526031'   

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 (Homo sapiens (Human))	BDBM50526031 (CHEMBL4470492) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5OC)c5ccccn5c4=O)C3)c2c1 |(48.24,-29.68,;47.22,-28.53,;45.71,-28.84,;45.22,-30.31,;43.71,-30.61,;42.7,-29.46,;41.16,-29.45,;40.7,-27.98,;41.95,-27.08,;41.96,-25.54,;43.31,-24.79,;43.32,-23.25,;41.99,-22.46,;40.66,-23.23,;39.33,-22.45,;38,-23.21,;36.67,-22.43,;35.33,-23.2,;34,-22.42,;34,-20.88,;35.34,-20.12,;32.67,-20.1,;32.68,-18.56,;31.35,-17.8,;31.35,-16.26,;32.69,-15.49,;34.02,-16.26,;34.02,-17.8,;35.35,-18.57,;36.69,-17.81,;31.34,-20.87,;30.01,-20.09,;28.69,-20.87,;28.69,-22.41,;30.01,-23.17,;31.34,-22.41,;32.66,-23.18,;32.65,-24.72,;40.64,-24.77,;43.19,-28,;44.69,-27.69,)| Show InChI InChI=1S/C33H36N4O4/c1-40-24-14-15-28-26(20-24)27(21-34-28)23-10-9-17-35(22-23)16-7-8-19-37-32(38)31(25-11-3-4-13-30(25)41-2)29-12-5-6-18-36(29)33(37)39/h3-6,11-15,18,20-21,23,34H,7-10,16-17,19,22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
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