Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50463987'   

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))	BDBM50463987 (CHEMBL4241180) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C50H66N8O5S/c1-40-52-43(39-64-40)23-21-41-17-16-18-45(33-41)62-38-50(59)51-25-12-9-14-27-55(2)26-13-7-5-6-8-15-28-58-36-44(53-54-58)37-63-48-24-22-42(34-49(48)61-4)35-56-29-31-57(32-30-56)46-19-10-11-20-47(46)60-3/h10-11,16-20,22,24,33-34,36,39H,5-9,12-15,25-32,35,37-38H2,1-4H3,(H,51,59)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50463987 (CHEMBL4241180) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C50H66N8O5S/c1-40-52-43(39-64-40)23-21-41-17-16-18-45(33-41)62-38-50(59)51-25-12-9-14-27-55(2)26-13-7-5-6-8-15-28-58-36-44(53-54-58)37-63-48-24-22-42(34-49(48)61-4)35-56-29-31-57(32-30-56)46-19-10-11-20-47(46)60-3/h10-11,16-20,22,24,33-34,36,39H,5-9,12-15,25-32,35,37-38H2,1-4H3,(H,51,59)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...				J Med Chem 61: 8212-8225 (2018) Article DOI: 10.1021/acs.jmedchem.8b00671 BindingDB Entry DOI: 10.7270/Q2X92DZC
					More data for this Ligand-Target Pair