Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50391424'   

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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50391424 (CHEMBL2146509) Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC)cc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:24.25,6.5,(-3.09,-4.55,;-3.07,-3.01,;-4.4,-2.23,;-4.39,-.69,;-3.05,.07,;-1.72,-.71,;-.38,.05,;.95,-.75,;2.28,.01,;2.3,1.55,;.98,2.33,;-.37,1.58,;3.65,2.3,;4.97,1.52,;5.73,.19,;4.19,.19,;6.31,2.27,;6.33,3.8,;7.67,4.55,;9,3.76,;10.35,4.51,;11.67,3.71,;8.98,2.21,;7.63,1.47,;-5.65,.19,;-5.19,1.66,;-6.22,2.79,;-7.71,2.46,;-8.97,3.36,;-10.2,2.44,;-11.67,2.91,;-9.73,.98,;-8.18,.99,;-7.15,-.13,)| Show InChI InChI=1S/C25H38N4O3S2/c1-3-15-29(20-8-13-23-24(17-20)33-25(26)27-23)16-14-18-4-6-19(7-5-18)28-34(30,31)22-11-9-21(32-2)10-12-22/h9-12,18-20,28H,3-8,13-17H2,1-2H3,(H2,26,27)/t18-,19-,20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates				Bioorg Med Chem Lett 22: 5612-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.003 BindingDB Entry DOI: 10.7270/Q2V69KPV
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