Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50053414'   

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))	BDBM50053414 (CHEMBL3318849) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCCCCCCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C60H70Cl2F2N8O6/c61-49-19-15-47(16-20-49)59(31-39-69(40-32-59)35-7-9-55(73)45-11-23-51(63)24-12-45)77-57(75)29-27-53-43-71(67-65-53)37-5-3-1-2-4-6-38-72-44-54(66-68-72)28-30-58(76)78-60(48-17-21-50(62)22-18-48)33-41-70(42-34-60)36-8-10-56(74)46-13-25-52(64)26-14-46/h11-26,43-44H,1-10,27-42H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50053414 (CHEMBL3318849) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCCCCCCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C60H70Cl2F2N8O6/c61-49-19-15-47(16-20-49)59(31-39-69(40-32-59)35-7-9-55(73)45-11-23-51(63)24-12-45)77-57(75)29-27-53-43-71(67-65-53)37-5-3-1-2-4-6-38-72-44-54(66-68-72)28-30-58(76)78-60(48-17-21-50(62)22-18-48)33-41-70(42-34-60)36-8-10-56(74)46-13-25-52(64)26-14-46/h11-26,43-44H,1-10,27-42H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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