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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 = 'BDBM50281779'   
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))
BDBM50281779
PNG
(CHEMBL438580 | Neuropeptide Y analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C102H162N32O24/c1-8-55(5)81(96(155)129-75(50-79(106)141)91(150)126-72(45-54(3)4)92(151)132-82(56(6)9-2)97(156)133-83(57(7)136)98(157)124-69(22-17-43-118-102(112)113)87(146)123-70(37-38-78(105)140)89(148)122-68(21-16-42-117-101(110)111)88(147)125-71(84(107)143)47-59-27-33-63(138)34-28-59)131-93(152)73(48-60-29-35-64(139)36-30-60)127-90(149)74(49-61-51-114-53-119-61)128-86(145)67(20-15-41-116-100(108)109)120-80(142)24-11-10-14-40-115-85(144)66(19-12-13-39-103)121-94(153)76(52-135)130-95(154)77-23-18-44-134(77)99(158)65(104)46-58-25-31-62(137)32-26-58/h25-36,51,53-57,65-77,81-83,135-139H,8-24,37-50,52,103-104H2,1-7H3,(H2,105,140)(H2,106,141)(H2,107,143)(H,114,119)(H,115,144)(H,120,142)(H,121,153)(H,122,148)(H,123,146)(H,124,157)(H,125,147)(H,126,150)(H,127,149)(H,128,145)(H,129,155)(H,130,154)(H,131,152)(H,132,151)(H,133,156)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)/t55-,56-,57+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,81-,82-,83-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Y2 receptor of rabbit kidney membrane


Bioorg Med Chem Lett 3: 937-942 (1993)


Article DOI: 10.1016/S0960-894X(00)80696-4
BindingDB Entry DOI: 10.7270/Q2H9954N
More data for this
Ligand-Target Pair