BindingDB logo
myBDB logout

PubMed code 19860431

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50415695
PNG
(CHEMBL1076360)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2)C(O)=O |r|
Show InChI InChI=1S/C58H84N16O17S4/c1-28(2)17-35-51(83)70-39-24-93-92-23-38(49(81)62-21-44(78)65-36(18-30-8-10-32(75)11-9-30)52(84)66-33(50(82)67-35)7-5-6-15-59)69-54(86)40(71-55(87)46(29(3)4)73-45(79)22-61-48(80)34-12-13-43(77)64-34)25-94-95-26-41(58(90)91)72-56(88)47-42(76)14-16-74(47)57(89)37(68-53(39)85)19-31-20-60-27-63-31/h8-11,20,27-29,33-42,46-47,75-76H,5-7,12-19,21-26,59H2,1-4H3,(H,60,63)(H,61,80)(H,62,81)(H,64,77)(H,65,78)(H,66,84)(H,67,82)(H,68,85)(H,69,86)(H,70,83)(H,71,87)(H,72,88)(H,73,79)(H,90,91)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-,47-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 182n/an/an/an/an/an/a



Xenome Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in COS7 cells

J Med Chem 52: 6991-7002 (2009)


Article DOI: 10.1021/jm9003413
BindingDB Entry DOI: 10.7270/Q2JW8G45
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%