Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50053377'   

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))	BDBM50053377 (CHEMBL3318832) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C47H50Cl2F2N2O6/c48-38-16-12-36(13-17-38)46(24-30-52(31-25-46)28-2-4-42(54)34-8-20-40(50)21-9-34)58-44(56)6-1-7-45(57)59-47(37-14-18-39(49)19-15-37)26-32-53(33-27-47)29-3-5-43(55)35-10-22-41(51)23-11-35/h8-23H,1-7,24-33H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50053377 (CHEMBL3318832) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C47H50Cl2F2N2O6/c48-38-16-12-36(13-17-38)46(24-30-52(31-25-46)28-2-4-42(54)34-8-20-40(50)21-9-34)58-44(56)6-1-7-45(57)59-47(37-14-18-39(49)19-15-37)26-32-53(33-27-47)29-3-5-43(55)35-10-22-41(51)23-11-35/h8-23H,1-7,24-33H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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