Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50053411'   

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))	BDBM50053411 (CHEMBL3318847) Show SMILES CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C52H62Cl2F2N4O6/c1-57(31-23-49(63)65-51(41-11-15-43(53)16-12-41)25-33-59(34-26-51)29-3-5-47(61)39-7-19-45(55)20-8-39)37-38-58(2)32-24-50(64)66-52(42-13-17-44(54)18-14-42)27-35-60(36-28-52)30-4-6-48(62)40-9-21-46(56)22-10-40/h7-22H,3-6,23-38H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay				Bioorg Med Chem Lett 24: 3753-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.079 BindingDB Entry DOI: 10.7270/Q2FF3V0M
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50053411 (CHEMBL3318847) Show SMILES CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C52H62Cl2F2N4O6/c1-57(31-23-49(63)65-51(41-11-15-43(53)16-12-41)25-33-59(34-26-51)29-3-5-47(61)39-7-19-45(55)20-8-39)37-38-58(2)32-24-50(64)66-52(42-13-17-44(54)18-14-42)27-35-60(36-28-52)30-4-6-48(62)40-9-21-46(56)22-10-40/h7-22H,3-6,23-38H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor stably expressed in CHO cell membranes by competitive binding assay				Bioorg Med Chem Lett 24: 3753-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.079 BindingDB Entry DOI: 10.7270/Q2FF3V0M
					More data for this Ligand-Target Pair