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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50535852'   
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 2


(Homo sapiens (Human))		BDBM50535852
PNG
(CHEMBL4533775)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C77H115N21O16/c1-43(2)37-59(71(111)89-45(5)67(107)95-57(65(78)105)39-46-18-26-50(99)27-19-46)97-69(109)55(14-11-35-87-76(82)83)93-73(113)61(41-48-22-30-52(101)31-23-48)90-63(103)16-8-6-7-9-17-64(104)91-62(42-49-24-32-53(102)33-25-49)74(114)94-56(15-12-36-88-77(84)85)70(110)98-60(38-44(3)4)72(112)92-54(13-10-34-86-75(80)81)68(108)96-58(66(79)106)40-47-20-28-51(100)29-21-47/h18-33,43-45,54-62,99-102H,6-17,34-42H2,1-5H3,(H2,78,105)(H2,79,106)(H,89,111)(H,90,103)(H,91,104)(H,92,112)(H,93,113)(H,94,114)(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
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PC cid
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UniChem
Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human NPY Y2 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation c...

J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair