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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 = 'BDBM50273945'   
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))		BDBM50273945
PNG
((E)-{[4-(4-{15-[1-(4-{[(1Z)-Ammonio({(4R)-4-[(diph...)
Show SMILES [NH3+]C(NC(=O)CCCn1cc(COCCOCCOCCOCCOCc2cn(CCCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)nn1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:73.78,37.37|
Show InChI InChI=1S/C76H94N16O13/c77-75(79-37-13-25-65(71(97)81-49-55-29-33-63(93)34-30-55)83-73(99)69(57-17-5-1-6-18-57)58-19-7-2-8-20-58)85-67(95)27-15-39-91-51-61(87-89-91)53-104-47-45-102-43-41-101-42-44-103-46-48-105-54-62-52-92(90-88-62)40-16-28-68(96)86-76(78)80-38-14-26-66(72(98)82-50-56-31-35-64(94)36-32-56)84-74(100)70(59-21-9-3-10-22-59)60-23-11-4-12-24-60/h1-12,17-24,29-36,51-52,65-66,69-70,93-94H,13-16,25-28,37-50,53-54H2,(H,81,97)(H,82,98)(H,83,99)(H,84,100)(H3,77,79,85,95)(H3,78,80,86,96)/p+2/t65-,66-/m1/s1
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Article
PubMed
 58n/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