Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50455438'   

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))	BDBM50455438 (CHEMBL3084971) Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@H](CC1)Nc1ncccn1 |wU:17.22,14.15,(9.21,-6,;10.05,-7.3,;11.58,-7.21,;12.42,-8.52,;13.96,-8.42,;14.64,-7.05,;13.8,-5.77,;12.28,-5.84,;16.18,-6.98,;17.02,-8.26,;18.53,-8.17,;19.23,-6.81,;18.39,-5.51,;16.85,-5.6,;7.67,-6.09,;6.97,-7.44,;5.43,-7.51,;4.59,-6.23,;5.31,-4.86,;6.83,-4.79,;3.05,-6.3,;2.21,-5.02,;.7,-5.09,;-.14,-3.81,;.56,-2.43,;2.1,-2.36,;2.94,-3.64,)| Show InChI InChI=1S/C22H31N5/c1-2-5-21(6-3-1)27-17-15-26(16-18-27)14-11-19-7-9-20(10-8-19)25-22-23-12-4-13-24-22/h1-6,12-13,19-20H,7-11,14-18H2,(H,23,24,25)/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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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