Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50411672'   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50411672 (CHEMBL256477) Show SMILES CCc1nn(C)c2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12 Show InChI InChI=1S/C30H35N7S/c1-5-26-25-18-21-12-15-37(16-13-22(21)19-28(25)36(4)34-26)14-7-17-38-30-33-32-29(35(30)3)24-8-6-9-27-23(24)11-10-20(2)31-27/h6,8-11,18-19H,5,7,12-17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	398	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 dopamine D2 receptor by 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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