Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50463986'   

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))	BDBM50463986 (CHEMBL4246185) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	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))	BDBM50463986 (CHEMBL4246185) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	171	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))	BDBM50463986 (CHEMBL4246185) Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)	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	5.5	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