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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 = 'BDBM50046556'   
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))
BDBM50046556
PNG
(CHEMBL2370633 | Tyr-c(Glu-Ser-Lys-Pro-(D-Ala)-Arg-...)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC2=O)C(=O)N[C@@H]([C@@H](C)CC)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](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |wU:94.96,29.61,62.64,78.80,132.134,34.35,112.114,147.151,17.18,95.99,8.9,44.46,87.90,wD:86.88,70.72,23.147,101.103,121.123,63.66,1.0,(-3.99,-11.35,;-2.23,-11.99,;-3.67,-12.59,;-3.55,-14.14,;-2.04,-14.49,;-1.22,-13.16,;.03,-14.06,;-.75,-15.42,;1.46,-14.65,;1.02,-16.14,;-.49,-16.53,;-.93,-18.03,;-2.45,-18.41,;-2.89,-19.91,;2.98,-14.89,;4.54,-14.77,;4.82,-16.3,;6.03,-14.29,;6.66,-15.71,;5.73,-16.97,;7.38,-13.5,;8.51,-12.41,;9.7,-13.39,;9.36,-11.09,;9.89,-9.62,;10.05,-8.08,;9.87,-6.55,;11.38,-6.16,;9.33,-5.1,;8.47,-3.82,;7.34,-2.77,;5.98,-2.02,;4.48,-1.61,;4.75,-.08,;2.94,-1.55,;2.84,,;4.14,.88,;5.59,.36,;6.57,1.59,;5.69,2.87,;4.2,2.43,;1.4,-1.84,;-.02,-2.49,;-.8,-1.15,;-1.26,-3.43,;-2.33,-2.32,;-1.89,-.83,;-2.97,.28,;-2.53,1.77,;-3.61,2.88,;-3.16,4.38,;-5.13,2.5,;-2.26,-4.64,;-2.95,-6.05,;-4.42,-5.54,;-3.31,-7.55,;-3.31,-9.11,;-2.93,-10.61,;-4.4,-11.16,;9.66,-2.79,;9.38,-1.28,;11.64,-2.7,;12.82,-2.16,;12.93,-.63,;14.12,-.1,;11.88,.37,;12.01,1.9,;13.87,-3.16,;13.76,-4.69,;15.06,-2.62,;16.11,-3.63,;15.99,-5.16,;16.81,-6.05,;18.4,-6.28,;16.34,-7.55,;17.3,-3.09,;17.42,-1.57,;18.35,-4.09,;19.54,-3.56,;19.66,-2.03,;20.84,-1.49,;21.9,-2.49,;20.97,.04,;20.59,-4.56,;20.47,-6.08,;21.78,-4.03,;22.83,-5.03,;22.71,-6.55,;23.77,-7.55,;21.53,-7.09,;21.4,-8.62,;24.02,-4.5,;24.15,-2.96,;25.07,-5.49,;26.26,-4.96,;26.38,-3.43,;25.33,-2.43,;27.57,-2.9,;27.32,-5.96,;27.2,-7.5,;28.5,-5.43,;29.56,-6.42,;29.44,-7.96,;30.49,-8.96,;30.37,-10.49,;31.43,-11.48,;31.3,-13.02,;32.37,-14.02,;30.13,-13.55,;30.73,-5.9,;30.87,-4.37,;31.8,-6.89,;32.97,-6.36,;33.11,-4.82,;34.29,-4.3,;34.4,-2.77,;33.35,-1.77,;35.59,-2.23,;34.04,-7.36,;33.91,-8.89,;35.23,-6.83,;36.28,-7.83,;36.15,-9.36,;37.21,-10.36,;37.09,-11.89,;38.15,-12.89,;38.03,-14.42,;39.08,-15.42,;36.84,-14.95,;37.46,-7.29,;37.58,-5.76,;38.52,-8.29,;39.7,-7.76,;39.82,-6.22,;41.01,-5.69,;41.13,-4.16,;42.31,-3.64,;43.37,-4.63,;44.55,-4.1,;43.25,-6.16,;42.06,-6.69,;40.76,-8.76,;41.93,-8.23,;40.63,-10.29,;10.75,-11.77,;12.05,-10.88,;11.95,-9.34,;13.44,-11.56,;14.74,-10.68,;13.54,-13.1,;14.8,-14.29,;14.7,-15.85,;15.96,-16.75,;17.33,-16.09,;18.59,-16.98,;17.43,-14.53,;16.17,-13.63,)|
Show InChI InChI=1S/C97H155N33O26/c1-8-49(5)75(90(151)124-66(42-72(101)136)85(146)122-64(38-48(3)4)86(147)127-76(50(6)9-2)91(152)129-77(51(7)132)92(153)120-60(19-14-36-111-97(106)107)81(142)119-61(29-31-71(100)135)83(144)118-59(18-13-35-110-96(104)105)82(143)125-67(94(155)156)40-53-23-27-56(134)28-24-53)128-87(148)68-44-112-79(140)65(41-54-43-108-47-114-54)123-80(141)58(17-12-34-109-95(102)103)115-74(138)45-113-89(150)70-20-15-37-130(70)93(154)63(16-10-11-33-98)121-88(149)69(46-131)126-84(145)62(30-32-73(137)116-68)117-78(139)57(99)39-52-21-25-55(133)26-22-52/h21-28,43,47-51,57-70,75-77,131-134H,8-20,29-42,44-46,98-99H2,1-7H3,(H2,100,135)(H2,101,136)(H,108,114)(H,112,140)(H,113,150)(H,115,138)(H,116,137)(H,117,139)(H,118,144)(H,119,142)(H,120,153)(H,121,149)(H,122,146)(H,123,141)(H,124,151)(H,125,143)(H,126,145)(H,127,147)(H,128,148)(H,129,152)(H,155,156)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t49-,50-,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.300n/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