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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50273944'   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50273944
PNG
((E)-{[4-(4-{4-[1-(4-{[(1Z)-Ammonio({(4R)-4-[(diphe...)
Show SMILES [NH3+]C(NC(=O)CCCn1cc(nn1)-c1ccc(cc1)-c1cn(CCCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:30.32,64.70|
Show InChI InChI=1S/C72H78N16O8/c73-71(75-41-13-25-59(67(93)77-45-49-29-37-57(89)38-30-49)79-69(95)65(53-17-5-1-6-18-53)54-19-7-2-8-20-54)81-63(91)27-15-43-87-47-61(83-85-87)51-33-35-52(36-34-51)62-48-88(86-84-62)44-16-28-64(92)82-72(74)76-42-14-26-60(68(94)78-46-50-31-39-58(90)40-32-50)80-70(96)66(55-21-9-3-10-22-55)56-23-11-4-12-24-56/h1-12,17-24,29-40,47-48,59-60,65-66,89-90H,13-16,25-28,41-46H2,(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H3,73,75,81,91)(H3,74,76,82,92)/p+2/t59-,60-/m1/s1
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Similars

Article
PubMed
43n/an/an/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Displacement of NG-([2,3-3H]propionyl)-BIBP-3226 from NPY Y1 receptor in human SK-N-MC cells


Bioorg Med Chem 16: 9858-66 (2008)


Article DOI: 10.1016/j.bmc.2008.09.033
BindingDB Entry DOI: 10.7270/Q2KW5FWS
More data for this
Ligand-Target Pair