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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurotensin receptor type 2' and Ligand = 'BDBM50342257'   
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
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50342257
PNG
((S)-2-((S)-2-((S)-3-((S)-1-((S)-5-guanidino-2-((S)...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]C([#6])([#6])[#6])-[#7]=[#6](-[#6])-[#6@H](-[#6]-c1cccc2ccccc12)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.15|
Show InChI InChI=1S/C45H71N11O6/c1-27(2)24-35(42(61)62)55-39(58)36(26-45(5,6)7)52-29(4)34(25-31-17-10-16-30-15-8-9-18-32(30)31)54-40(59)37-20-13-23-56(37)41(60)33(19-12-22-51-44(48)49)53-38(57)28(3)14-11-21-50-43(46)47/h8-10,15-18,27-28,33-37H,11-14,19-26H2,1-7H3,(H,53,57)(H,54,59)(H,55,58)(H,61,62)(H4,46,47,50)(H4,48,49,51)/t28-,33-,34-,35-,36-,37-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 34n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells

J Med Chem 54: 2915-23 (2011)


Article DOI: 10.1021/jm200006c
BindingDB Entry DOI: 10.7270/Q2XK8FVG
More data for this
Ligand-Target Pair