Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50436544'   

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))	BDBM50436544 (CHEMBL2397479) Show SMILES CCCN(CCCCNC(=O)c1cc2ccccc2s1)[C@@H]1CCC(=CC1)C#C |r,c:25| Show InChI InChI=1S/C24H30N2OS/c1-3-16-26(21-13-11-19(4-2)12-14-21)17-8-7-15-25-24(27)23-18-20-9-5-6-10-22(20)28-23/h2,5-6,9-11,18,21H,3,7-8,12-17H2,1H3,(H,25,27)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 56: 5130-41 (2013) Article DOI: 10.1021/jm400520c BindingDB Entry DOI: 10.7270/Q2PR7XDM
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