Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50544112'   

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))	BDBM50544112 (CHEMBL4649165) Show SMILES [I-].CS\C(=N\CC[N+]1(C)CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 |TLB:3:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26| Show InChI InChI=1S/C23H36N5S/c1-28(10-7-27(8-11-28)22-25-4-3-5-26-22)9-6-24-21(29-2)23-15-18-12-19(16-23)14-20(13-18)17-23/h3-5,18-20H,6-17H2,1-2H3/q+1/b24-21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Dominican College Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human 5-HT1A expressed in CHO-K1 cells by pathhunter beta-arrestin assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127358 BindingDB Entry DOI: 10.7270/Q26113XJ
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