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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 = 'BDBM50046553'   
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))
BDBM50046553
PNG
(CHEMBL437421 | Tyr-Pro-Ser-Lys-Pro-(D-Ala)-Arg-His...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC1=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)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
Show InChI InChI=1S/C105H161N33O26/c1-6-56(4)84-99(160)128-71(91(152)124-68(19-12-42-119-104(112)113)86(147)127-70(35-37-81(108)143)90(151)125-69(20-13-43-120-105(114)115)89(150)134-77(102(163)164)49-60-27-33-64(142)34-28-60)36-38-83(145)117-40-10-8-16-66(87(148)133-76(51-82(109)144)94(155)130-73(46-55(2)3)95(156)136-84)126-92(153)74(48-59-25-31-63(141)32-26-59)131-93(154)75(50-61-52-116-54-121-61)132-88(149)67(18-11-41-118-103(110)111)123-85(146)57(5)122-97(158)79-21-15-45-138(79)101(162)72(17-7-9-39-106)129-96(157)78(53-139)135-98(159)80-22-14-44-137(80)100(161)65(107)47-58-23-29-62(140)30-24-58/h23-34,52,54-57,65-80,84,139-142H,6-22,35-51,53,106-107H2,1-5H3,(H2,108,143)(H2,109,144)(H,116,121)(H,117,145)(H,122,158)(H,123,146)(H,124,152)(H,125,151)(H,126,153)(H,127,147)(H,128,160)(H,129,157)(H,130,155)(H,131,154)(H,132,149)(H,133,148)(H,134,150)(H,135,159)(H,136,156)(H,163,164)(H4,110,111,118)(H4,112,113,119)(H4,114,115,120)/t56-,57+,65+,66-,67-,68-,69-,70-,71-,72-,73+,74-,75-,76-,77-,78-,79+,80-,84-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


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