Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50218413'   

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 (Homo sapiens (Human))	BDBM50218413 (CHEMBL87753) Show SMILES Oc1ccc2ccc(cc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1 |wU:14.15,wD:17.19,(29.92,-11.74,;28.57,-10.97,;28.57,-9.43,;27.24,-8.66,;25.91,-9.43,;24.58,-8.66,;23.23,-9.43,;23.23,-10.97,;24.58,-11.74,;25.91,-10.97,;27.24,-11.74,;21.9,-11.74,;21.88,-13.28,;20.55,-10.96,;19.24,-11.73,;19.24,-13.28,;17.91,-14.05,;16.56,-13.28,;15.21,-14.05,;15.2,-15.61,;13.87,-16.38,;12.53,-15.61,;11.1,-16.17,;10.64,-17.64,;9.1,-17.77,;8.43,-19.15,;9.34,-20.43,;10.87,-20.29,;11.53,-18.9,;13.04,-19.03,;14.09,-17.91,;8.71,-21.86,;8.09,-23.28,;16.56,-11.73,;17.89,-10.96,)| Show InChI InChI=1S/C29H32N4O2/c30-19-21-1-4-22-12-15-33(16-13-24(22)17-21)14-11-20-2-8-26(9-3-20)31-29(35)25-6-5-23-7-10-28(34)32-27(23)18-25/h1,4-7,10,17-18,20,26H,2-3,8-9,11-16H2,(H,31,35)(H,32,34)/t20-,26-	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
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D3 by displacement of [125I]iodosulpiride expressed in CHO cells				Bioorg Med Chem Lett 10: 2553-5 (2000) BindingDB Entry DOI: 10.7270/Q24Q7X55
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