Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50177342'   

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))	BDBM50177342 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)N2CCCCC2)CC1 Show InChI InChI=1S/C26H38F3N7O/c1-25(2,3)23-30-20(26(27,28)29)19-22(31-23)35-17-15-33(16-18-35)10-7-8-13-36-14-9-21(32-24(36)37)34-11-5-4-6-12-34/h9,14,19H,4-8,10-13,15-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
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