Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50119515'   

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))	BDBM50119515 (CHEMBL221866) Show SMILES COc1ccc(Cn2nnc(C(=O)NCCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)c2C)cc1 Show InChI InChI=1S/C27H34Cl2N6O2/c1-20-26(31-32-35(20)19-21-9-11-22(37-2)12-10-21)27(36)30-13-4-3-5-14-33-15-17-34(18-16-33)24-8-6-7-23(28)25(24)29/h6-12H,3-5,13-19H2,1-2H3,(H,30,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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 dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay				Bioorg Med Chem 23: 6195-209 (2015) Article DOI: 10.1016/j.bmc.2015.07.050 BindingDB Entry DOI: 10.7270/Q2WW7KGM
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