Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50252646'   

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))	BDBM50252646 (3-{(1,4-trans)-4-[4-(1H-Indol-4-yl)-piperazin-1-yl...) Show SMILES Cn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:4.3,wD:7.10,(-3.26,-11.23,;-4.52,-12.12,;-5.98,-11.63,;-6.89,-12.87,;-8.43,-12.85,;-9.21,-14.18,;-10.74,-14.16,;-11.52,-12.82,;-10.73,-11.49,;-9.18,-11.51,;-13.05,-12.81,;-13.82,-14.14,;-15.37,-14.13,;-16.12,-12.79,;-15.34,-11.46,;-13.81,-11.47,;-17.66,-12.79,;-18.42,-11.45,;-19.95,-11.44,;-20.74,-12.77,;-19.98,-14.12,;-20.45,-15.59,;-19.2,-16.49,;-17.94,-15.58,;-18.43,-14.12,;-6,-14.11,;-6.34,-15.6,;-5.21,-16.64,;-3.74,-16.18,;-3.41,-14.69,;-4.53,-13.66,;-5.55,-18.15,;-5.96,-19.63,)| Show InChI InChI=1S/C28H31N5/c1-31-19-25(24-17-20(18-29)5-10-27(24)31)21-6-8-22(9-7-21)32-13-15-33(16-14-32)28-4-2-3-26-23(28)11-12-30-26/h2-5,10-12,17,19,21-22,30H,6-9,13-16H2,1H3/t21-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem 16: 6707-23 (2008) Article DOI: 10.1016/j.bmc.2008.05.075 BindingDB Entry DOI: 10.7270/Q2GT5MZ4
					More data for this Ligand-Target Pair