Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50119991'   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50119991 (2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1...) Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H27N3O3/c1-17-12-19-4-2-3-5-20(19)26(17)23(27)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)29-16-28-21/h2-7,13,17H,8-12,14-16H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand				Bioorg Med Chem Lett 12: 3111-5 (2002) BindingDB Entry DOI: 10.7270/Q2DZ07ND
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