Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50382299'   

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 (Rattus norvegicus (rat))	BDBM50382299 (CHEMBL2024513) Show SMILES FC(F)(F)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:7.6,wD:10.10,(-3.18,-12.8,;-3.18,-11.26,;-4.51,-10.49,;-4.52,-12.02,;-1.84,-10.49,;-1.84,-8.95,;-.51,-11.26,;.82,-10.49,;.82,-8.95,;2.15,-8.17,;3.48,-8.95,;4.82,-8.19,;6.15,-8.96,;7.49,-8.19,;8.81,-8.97,;10.14,-8.21,;10.16,-6.67,;8.82,-5.9,;7.48,-6.66,;11.53,-5.97,;12.82,-6.81,;14.2,-6.1,;14.27,-4.57,;12.98,-3.74,;13.06,-2.2,;11.61,-4.44,;10.31,-3.6,;3.48,-10.49,;2.15,-11.25,)| Show InChI InChI=1S/C20H26Cl2F3N3O/c21-16-2-1-3-17(18(16)22)28-12-10-27(11-13-28)9-8-14-4-6-15(7-5-14)26-19(29)20(23,24)25/h1-3,14-15H,4-13H2,(H,26,29)/t14-,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes				Bioorg Med Chem Lett 22: 3437-40 (2012) Article DOI: 10.1016/j.bmcl.2012.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1MZN
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