Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50063287'   

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))	BDBM50063287 (CHEMBL164979 | {4-[2-(Methyl-phenethyl-amino)-ethy...) Show SMILES CN(CC[C@H]1CC[C@@H](CC1)Nc1ncccn1)CCc1ccccc1 |wU:7.10,wD:4.3,(13.32,-3.92,;12.62,-5.3,;11.08,-5.37,;10.24,-4.09,;8.7,-4.16,;7.86,-2.87,;6.35,-2.94,;5.63,-4.32,;6.46,-5.6,;8,-5.53,;4.09,-4.39,;3.25,-3.08,;3.97,-1.73,;3.13,-.43,;1.59,-.5,;.89,-1.87,;1.73,-3.18,;13.46,-6.58,;14.97,-6.51,;15.81,-7.79,;17.35,-7.72,;18.19,-9.01,;17.49,-10.38,;15.95,-10.45,;15.11,-9.17,)| Show InChI InChI=1S/C21H30N4/c1-25(16-12-18-6-3-2-4-7-18)17-13-19-8-10-20(11-9-19)24-21-22-14-5-15-23-21/h2-7,14-15,19-20H,8-13,16-17H2,1H3,(H,22,23,24)/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2				J Med Chem 41: 760-71 (1998) Article DOI: 10.1021/jm9707378 BindingDB Entry DOI: 10.7270/Q20G3J97
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