Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50411698'   

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))	BDBM50411698 (CHEMBL271096) Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc2o1 Show InChI InChI=1S/C26H28F3N5OS/c1-3-23-30-21-15-18-9-12-34(13-10-19(18)16-22(21)35-23)11-4-14-36-25-32-31-24(33(25)2)17-5-7-20(8-6-17)26(27,28)29/h5-8,15-16H,3-4,9-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay				Bioorg Med Chem Lett 18: 901-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.066 BindingDB Entry DOI: 10.7270/Q2MK6F32
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