Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50411665'   

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))	BDBM50411665 (CHEMBL402087) Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4c(C)c3CC2)C(C)(C)C)n1C Show InChI InChI=1S/C32H38N6OS/c1-20-11-12-24-25(9-7-10-26(24)33-20)29-35-36-31(37(29)6)40-18-8-15-38-16-13-22-19-27-28(21(2)23(22)14-17-38)39-30(34-27)32(3,4)5/h7,9-12,19H,8,13-18H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	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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