Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50177768'   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50177768 (2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NC[C@H]3CC[C@@H](CC3)C(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:28.32,41.56,42.47,wD:25.25,TLB:52:41:36:39.38,35:36:39.38:41.42.43,(9.23,-9.98,;7.89,-9.2,;7.9,-7.65,;9.25,-6.88,;10.59,-7.67,;6.57,-6.86,;6.58,-5.31,;5.23,-4.52,;3.89,-5.29,;2.56,-4.52,;2.56,-2.98,;3.9,-2.2,;3.9,-.66,;2.57,.11,;1.22,-.66,;1.22,-2.2,;-.11,-2.97,;-1.45,-3.74,;.65,-4.3,;-.89,-1.64,;2.57,1.65,;1.03,1.66,;4.11,1.66,;2.58,3.19,;3.92,3.95,;5.24,3.17,;5.23,1.63,;6.56,.86,;7.88,1.61,;7.92,3.15,;6.58,3.94,;9.21,.83,;9.19,-.71,;10.56,1.59,;11.87,.8,;11.86,-.74,;13.18,-1.53,;13.24,-4.06,;12.25,-4.78,;12.54,-3.33,;13.84,-2.62,;15.25,-3.22,;15.63,-4.69,;14.61,-3.98,;17.01,-5.07,;18.02,-4.06,;19.4,-4.44,;19.76,-5.84,;21.14,-6.21,;18.75,-6.84,;19.1,-8.23,;17.36,-6.46,;16.57,-2.44,;16.55,-.9,;17.91,-3.2,;19.24,-2.41,;1.21,-5.29,;-.12,-4.51,;-1.46,-5.27,;-1.47,-6.82,;-.13,-7.6,;1.2,-6.83,;2.54,-7.61,;3.88,-6.85,;5.21,-7.62,;-2.82,-7.57,;-4.15,-6.79,;-5.5,-7.56,;-2.83,-9.12,;-4.18,-9.89,)| Show InChI InChI=1S/C52H63Cl2N5O9S2/c1-6-57(7-2)35-15-19-39-46(28-35)68-47-29-36(58(8-3)9-4)16-20-40(47)49(39)41-21-18-38(30-48(41)70(64,65)66)69(62,63)56-31-32-10-12-33(13-11-32)51(60)55-24-25-59-37-17-23-45(59)50(52(61)67-5)42(27-37)34-14-22-43(53)44(54)26-34/h14-16,18-22,26,28-30,32-33,37,42,45,50,56H,6-13,17,23-25,27,31H2,1-5H3,(H-,55,60,64,65,66)/t32-,33-,37?,42-,45?,50+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	627	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]dopamine from human NET expressed in COS7 cells				J Med Chem 48: 7513-6 (2005) Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM
					More data for this Ligand-Target Pair