Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50122043'   

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))	BDBM50122043 (CHEMBL423040 | N-[4-(4-Benzo[d]isoxazol-3-yl-piper...) Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C23H28N4O3/c1-29-19-8-6-7-18(17-19)23(28)24-11-4-5-12-26-13-15-27(16-14-26)22-20-9-2-3-10-21(20)30-25-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand				J Med Chem 45: 5727-35 (2002) BindingDB Entry DOI: 10.7270/Q2TT4RQC
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