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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 4' and Ligand = 'BDBM50159231'   
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 4


(Homo sapiens (Human))		BDBM50159231
PNG
(CHEMBL3787528)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCCCNC(=O)\N=C(/N)NCCC[C@H](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](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C88H136N26O18.4C2HF3O2/c1-6-71(119)98-39-11-12-40-103-88(132)114-87(97)102-44-16-20-64(79(127)113-68(46-52(4)5)81(129)107-62(18-14-42-100-85(93)94)77(125)111-66(75(90)123)48-54-25-33-58(116)34-26-54)109-83(131)70(50-56-29-37-60(118)38-30-56)105-73(121)22-10-8-7-9-21-72(120)104-69(49-55-27-35-59(117)36-28-55)82(130)108-63(19-15-43-101-86(95)96)78(126)112-67(45-51(2)3)80(128)106-61(17-13-41-99-84(91)92)76(124)110-65(74(89)122)47-53-23-31-57(115)32-24-53;4*3-2(4,5)1(6)7/h23-38,51-52,61-70,115-118H,6-22,39-50H2,1-5H3,(H2,89,122)(H2,90,123)(H,98,119)(H,104,120)(H,105,121)(H,106,128)(H,107,129)(H,108,130)(H,109,131)(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)(H4,97,102,103,114,132);4*(H,6,7)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-;;;;/m0..../s1
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Article
PubMed
 3.60n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of S0586[K4]hpp from human NPY4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ by flow cytometric analysis

J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair