Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50033429'   

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))	BDBM50033429 (CHEMBL331037 | N-[4-(4-{6-[3-(2-Amino-ethyl)-1H-in...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)CCCCCOc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C27H37N5O4S/c1-37(34,35)30-22-6-8-23(9-7-22)31-14-16-32(17-15-31)27(33)5-3-2-4-18-36-24-10-11-26-25(19-24)21(12-13-28)20-29-26/h6-11,19-20,29-30H,2-5,12-18,28H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Binding affinity for cloned human 5-hydroxytryptamine 1A receptor				J Med Chem 38: 3602-7 (1995) BindingDB Entry DOI: 10.7270/Q25M66C2
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