Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50382296'   

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))	BDBM50382296 (CHEMBL2021954) Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)Oc2cccc(c2)C(F)(F)F)CC1 |r,wU:4.3,wD:7.7,(25.63,-15.38,;26.96,-14.61,;26.92,-13.07,;28.29,-15.38,;29.63,-14.61,;29.63,-13.07,;30.95,-12.29,;32.28,-13.07,;33.62,-12.3,;34.95,-13.07,;36.29,-12.31,;37.61,-13.09,;38.94,-12.33,;38.96,-10.79,;37.63,-10.01,;36.28,-10.77,;40.3,-10.03,;41.62,-10.81,;42.96,-10.04,;44.29,-10.82,;44.29,-12.35,;42.96,-13.12,;41.62,-12.35,;42.96,-14.66,;41.62,-15.43,;44.29,-15.43,;42.97,-16.21,;32.28,-14.61,;30.95,-15.37,)| Show InChI InChI=1S/C22H31F3N2O2/c1-16(28)26-19-7-5-17(6-8-19)9-12-27-13-10-20(11-14-27)29-21-4-2-3-18(15-21)22(23,24)25/h2-4,15,17,19-20H,5-14H2,1H3,(H,26,28)/t17-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	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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