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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurotensin receptor 1' and Ligand = 'BDBM50281784'   
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 1


(MOUSE)
BDBM50281784
PNG
(Ac-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH ...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C69H107N19O18/c1-6-38(4)56(64(102)85-51(67(105)106)33-37(2)3)86-61(99)49(35-41-20-24-43(91)25-21-41)84-63(101)53-17-12-32-88(53)66(104)47(15-10-30-77-69(74)75)81-57(95)44(14-9-29-76-68(72)73)80-62(100)52-16-11-31-87(52)65(103)46(13-7-8-28-70)82-60(98)50(36-54(71)92)83-58(96)45(26-27-55(93)94)79-59(97)48(78-39(5)89)34-40-18-22-42(90)23-19-40/h18-25,37-38,44-53,56,90-91H,6-17,26-36,70H2,1-5H3,(H2,71,92)(H,78,89)(H,79,97)(H,80,100)(H,81,95)(H,82,98)(H,83,96)(H,84,101)(H,85,102)(H,86,99)(H,93,94)(H,105,106)(H4,72,73,76)(H4,74,75,77)/t38-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,56+/m1/s1
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Similars

Article
0.210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair