Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50525033'   

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))	BDBM50525033 (CHEMBL4541692) Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccc(cc4)-c4ccsc4)n3C)CC2)CC1 Show InChI InChI=1S/C32H39N5OS2/c1-35-30(26-10-8-25(9-11-26)27-12-23-39-24-27)33-34-31(35)40-22-5-17-36-18-13-32(14-19-36)15-20-37(21-16-32)28-6-3-4-7-29(28)38-2/h3-4,6-12,23-24H,5,13-22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation count...				J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412 BindingDB Entry DOI: 10.7270/Q2Z03CM2
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