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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 = 'BDBM50046546'   
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))
BDBM50046546
PNG
(CHEMBL414051 | Tyr-Pro-Ser-Lys-Pro-(D-Ala)-Arg-His...)
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)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=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(O)=O
Show InChI InChI=1S/C104H162N32O26/c1-9-54(5)81(96(156)129-74(49-80(108)143)90(150)126-71(44-53(3)4)91(151)133-82(55(6)10-2)97(157)134-83(57(8)138)98(158)124-68(21-15-41-118-104(113)114)85(145)123-69(36-37-79(107)142)88(148)122-67(20-14-40-117-103(111)112)87(147)130-75(101(161)162)47-60-28-34-64(141)35-29-60)132-92(152)72(46-59-26-32-63(140)33-27-59)127-89(149)73(48-61-50-115-52-119-61)128-86(146)66(19-13-39-116-102(109)110)121-84(144)56(7)120-94(154)77-22-17-43-136(77)100(160)70(18-11-12-38-105)125-93(153)76(51-137)131-95(155)78-23-16-42-135(78)99(159)65(106)45-58-24-30-62(139)31-25-58/h24-35,50,52-57,65-78,81-83,137-141H,9-23,36-49,51,105-106H2,1-8H3,(H2,107,142)(H2,108,143)(H,115,119)(H,120,154)(H,121,144)(H,122,148)(H,123,145)(H,124,158)(H,125,153)(H,126,150)(H,127,149)(H,128,146)(H,129,156)(H,130,147)(H,131,155)(H,132,152)(H,133,151)(H,134,157)(H,161,162)(H4,109,110,116)(H4,111,112,117)(H4,113,114,118)/t54-,55-,56+,57+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

Similars

PubMed
0.900n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair