Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50463982'   

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))	BDBM50463982 (CHEMBL4239987) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	142	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))	BDBM50463982 (CHEMBL4239987) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	295	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50463982 (CHEMBL4239987) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP accumulation preincubated f...				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