Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50216046'   

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)	BDBM50216046 (2-(4-(4-phenyl-1-piperazinyl)butyl)-1,2-benzisothi...) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C22H27N3O4S/c1-29-20-10-4-3-9-19(20)24-16-14-23(15-17-24)12-6-7-13-25-22(26)18-8-2-5-11-21(18)30(25,27)28/h2-5,8-11H,6-7,12-17H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human D3R				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128028 BindingDB Entry DOI: 10.7270/Q2XK8KBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50216046 (2-(4-(4-phenyl-1-piperazinyl)butyl)-1,2-benzisothi...) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C22H27N3O4S/c1-29-20-10-4-3-9-19(20)24-16-14-23(15-17-24)12-6-7-13-25-22(26)18-8-2-5-11-21(18)30(25,27)28/h2-5,8-11H,6-7,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human Dopamine D3 receptor expressed in CHO cells				Bioorg Med Chem 15: 5811-8 (2007) Article DOI: 10.1016/j.bmc.2007.06.002 BindingDB Entry DOI: 10.7270/Q27M07MZ
					More data for this Ligand-Target Pair