Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50443100'   

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))	BDBM50443100 (CHEMBL3085820) Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:8.7,wD:11.11,(21.57,-16.54,;20.24,-15.77,;20.24,-14.23,;21.57,-14.99,;18.91,-16.54,;17.57,-15.77,;17.58,-14.23,;16.24,-16.54,;14.91,-15.77,;13.57,-16.53,;12.24,-15.77,;12.24,-14.22,;10.91,-13.45,;9.58,-14.23,;8.24,-13.46,;7.06,-14.44,;5.55,-14.13,;4.84,-12.77,;5.48,-11.37,;6.98,-10.99,;8.2,-11.92,;4.73,-10.03,;5.52,-8.71,;4.77,-7.37,;3.23,-7.34,;2.44,-8.68,;.9,-8.66,;3.19,-10.01,;2.41,-11.34,;13.57,-13.45,;14.91,-14.23,)| Show InChI InChI=1S/C24H37Cl2N3O2/c1-24(2,3)31-23(30)27-19-10-8-18(9-11-19)12-15-28-13-5-14-29(17-16-28)21-7-4-6-20(25)22(21)26/h4,6-7,18-19H,5,8-17H2,1-3H3,(H,27,30)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis				J Med Chem 56: 9199-221 (2013) Article DOI: 10.1021/jm401318w BindingDB Entry DOI: 10.7270/Q2RF5WGV
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