Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50463981'   

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))	BDBM50463981 (CHEMBL4242192) Show SMILES CCCN(CCc1ccc(NC(=O)CCC#C)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C26H32N2O2/c1-3-5-9-26(30)27-22-12-10-20(11-13-22)16-18-28(17-4-2)23-14-15-24-21(19-23)7-6-8-25(24)29/h1,6-8,10-13,23,29H,4-5,9,14-19H2,2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	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))	BDBM50463981 (CHEMBL4242192) Show SMILES CCCN(CCc1ccc(NC(=O)CCC#C)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C26H32N2O2/c1-3-5-9-26(30)27-22-12-10-20(11-13-22)16-18-28(17-4-2)23-14-15-24-21(19-23)7-6-8-25(24)29/h1,6-8,10-13,23,29H,4-5,9,14-19H2,2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	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))	BDBM50463981 (CHEMBL4242192) Show SMILES CCCN(CCc1ccc(NC(=O)CCC#C)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C26H32N2O2/c1-3-5-9-26(30)27-22-12-10-20(11-13-22)16-18-28(17-4-2)23-14-15-24-21(19-23)7-6-8-25(24)29/h1,6-8,10-13,23,29H,4-5,9,14-19H2,2H3,(H,27,30)	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	3	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