Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM129718'   

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))	BDBM129718 (US8802672, 6) Show SMILES CCNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-21.56,;-4,-20.79,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)| Show InChI InChI=1S/C20H32Cl2N6O/c1-3-23-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-6-16(7-5-15)24-14(2)29/h15-16H,3-13H2,1-2H3,(H,24,29)(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Richter Gedeon Nyrt. US Patent					Assay Description D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...				US Patent US8802672 (2014) BindingDB Entry DOI: 10.7270/Q2FF3R1T
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