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BDBM50197014 AcNPY(25-36)::CHEMBL411793

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](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(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O

InChI Key: InChIKey=RDOFKMDVEDQFIJ-WQSAXVMWSA-N

Data: 3 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50197014   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50197014
PNG
(AcNPY(25-36) | CHEMBL411793)
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](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(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O |wU:16.16,8.8,4.3,99.109,52.52,72.72,wD:24.85,2.2,109.120,34.38,41.41,87.98,61.61,(21.95,-18.8,;20.64,-19.6,;19.29,-18.85,;19.25,-17.31,;17.96,-19.65,;16.61,-18.91,;15.29,-19.71,;15.33,-21.25,;13.94,-18.96,;13.92,-17.42,;15.24,-16.63,;15.23,-15.09,;16.58,-17.37,;12.61,-19.74,;11.26,-18.99,;11.25,-17.45,;9.93,-19.76,;8.6,-18.98,;8.6,-17.44,;9.97,-16.7,;7.27,-16.66,;9.92,-21.3,;8.59,-22.08,;7.25,-21.32,;8.6,-23.61,;9.92,-24.3,;9.94,-25.87,;11.29,-26.64,;12.65,-25.84,;14,-26.57,;15.36,-25.84,;15.36,-24.29,;16.7,-26.61,;17.68,-24.49,;19.38,-23.48,;19.34,-21.94,;18,-21.19,;16.68,-21.99,;20.71,-24.24,;20.72,-25.77,;22.06,-23.49,;23.4,-24.25,;23.41,-25.77,;24.75,-26.53,;24.76,-28.04,;26.09,-28.81,;26.09,-30.35,;24.83,-31.11,;27.46,-31.11,;24.74,-23.47,;24.73,-21.92,;26.08,-24.23,;27.4,-23.44,;27.4,-21.89,;26.05,-21.11,;26.04,-19.61,;27.32,-18.8,;24.7,-18.84,;28.72,-24.19,;28.72,-25.71,;30.05,-23.43,;31.39,-24.2,;31.39,-25.71,;32.74,-26.49,;32.75,-28,;34.09,-28.77,;34.12,-30.31,;32.8,-31.05,;35.45,-31.06,;32.73,-23.42,;32.72,-21.87,;34.07,-24.18,;35.4,-23.42,;35.4,-21.87,;36.7,-21.11,;36.7,-19.55,;38,-18.79,;39.31,-19.54,;40.6,-18.66,;39.32,-21.05,;38.02,-21.86,;36.72,-24.17,;38.05,-23.39,;36.72,-25.67,;7.29,-24.41,;7.34,-25.96,;8.68,-26.7,;6.02,-26.76,;6.06,-28.31,;7.41,-29.04,;7.44,-30.58,;8.8,-31.31,;10.11,-30.51,;11.49,-31.27,;10.07,-28.96,;8.71,-28.23,;4.66,-26.04,;3.33,-26.81,;3.36,-28.35,;1.97,-26.08,;1.94,-24.53,;3.25,-23.73,;3.37,-22.19,;4.87,-21.83,;5.67,-23.15,;4.67,-24.32,;.68,-26.91,;-.67,-26.16,;-.71,-24.62,;-1.99,-26.96,;-1.94,-28.5,;-3.26,-29.31,;-3.22,-30.85,;-4.52,-31.68,;-4.51,-33.22,;-5.82,-34.03,;-3.17,-33.95,;-3.34,-26.23,;-4.66,-27.03,;-6.02,-26.3,;-4.62,-28.58,)|
Show InChI InChI=1S/C76H119N27O18/c1-6-40(4)61-73(121)97-52(68(116)93-49(14-10-30-89-75(82)83)64(112)96-51(24-26-58(77)107)67(115)94-50(15-11-31-90-76(84)85)65(113)98-53(62(79)110)33-42-16-20-45(105)21-17-42)25-27-60(109)87-28-8-7-12-48(66(114)102-57(36-59(78)108)71(119)99-54(32-39(2)3)72(120)103-61)95-69(117)55(34-43-18-22-46(106)23-19-43)100-70(118)56(35-44-37-86-38-91-44)101-63(111)47(92-41(5)104)13-9-29-88-74(80)81/h16-23,37-40,47-57,61,105-106H,6-15,24-36H2,1-5H3,(H2,77,107)(H2,78,108)(H2,79,110)(H,86,91)(H,87,109)(H,92,104)(H,93,116)(H,94,115)(H,95,117)(H,96,112)(H,97,121)(H,98,113)(H,99,119)(H,100,118)(H,101,111)(H,102,114)(H,103,120)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)/t40-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,61+/m1/s1
PDB

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KEGG

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PC sid
UniChem

Similars

Article
PubMed
75n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50197014
PNG
(AcNPY(25-36) | CHEMBL411793)
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](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(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O |wU:16.16,8.8,4.3,99.109,52.52,72.72,wD:24.85,2.2,109.120,34.38,41.41,87.98,61.61,(21.95,-18.8,;20.64,-19.6,;19.29,-18.85,;19.25,-17.31,;17.96,-19.65,;16.61,-18.91,;15.29,-19.71,;15.33,-21.25,;13.94,-18.96,;13.92,-17.42,;15.24,-16.63,;15.23,-15.09,;16.58,-17.37,;12.61,-19.74,;11.26,-18.99,;11.25,-17.45,;9.93,-19.76,;8.6,-18.98,;8.6,-17.44,;9.97,-16.7,;7.27,-16.66,;9.92,-21.3,;8.59,-22.08,;7.25,-21.32,;8.6,-23.61,;9.92,-24.3,;9.94,-25.87,;11.29,-26.64,;12.65,-25.84,;14,-26.57,;15.36,-25.84,;15.36,-24.29,;16.7,-26.61,;17.68,-24.49,;19.38,-23.48,;19.34,-21.94,;18,-21.19,;16.68,-21.99,;20.71,-24.24,;20.72,-25.77,;22.06,-23.49,;23.4,-24.25,;23.41,-25.77,;24.75,-26.53,;24.76,-28.04,;26.09,-28.81,;26.09,-30.35,;24.83,-31.11,;27.46,-31.11,;24.74,-23.47,;24.73,-21.92,;26.08,-24.23,;27.4,-23.44,;27.4,-21.89,;26.05,-21.11,;26.04,-19.61,;27.32,-18.8,;24.7,-18.84,;28.72,-24.19,;28.72,-25.71,;30.05,-23.43,;31.39,-24.2,;31.39,-25.71,;32.74,-26.49,;32.75,-28,;34.09,-28.77,;34.12,-30.31,;32.8,-31.05,;35.45,-31.06,;32.73,-23.42,;32.72,-21.87,;34.07,-24.18,;35.4,-23.42,;35.4,-21.87,;36.7,-21.11,;36.7,-19.55,;38,-18.79,;39.31,-19.54,;40.6,-18.66,;39.32,-21.05,;38.02,-21.86,;36.72,-24.17,;38.05,-23.39,;36.72,-25.67,;7.29,-24.41,;7.34,-25.96,;8.68,-26.7,;6.02,-26.76,;6.06,-28.31,;7.41,-29.04,;7.44,-30.58,;8.8,-31.31,;10.11,-30.51,;11.49,-31.27,;10.07,-28.96,;8.71,-28.23,;4.66,-26.04,;3.33,-26.81,;3.36,-28.35,;1.97,-26.08,;1.94,-24.53,;3.25,-23.73,;3.37,-22.19,;4.87,-21.83,;5.67,-23.15,;4.67,-24.32,;.68,-26.91,;-.67,-26.16,;-.71,-24.62,;-1.99,-26.96,;-1.94,-28.5,;-3.26,-29.31,;-3.22,-30.85,;-4.52,-31.68,;-4.51,-33.22,;-5.82,-34.03,;-3.17,-33.95,;-3.34,-26.23,;-4.66,-27.03,;-6.02,-26.3,;-4.62,-28.58,)|
Show InChI InChI=1S/C76H119N27O18/c1-6-40(4)61-73(121)97-52(68(116)93-49(14-10-30-89-75(82)83)64(112)96-51(24-26-58(77)107)67(115)94-50(15-11-31-90-76(84)85)65(113)98-53(62(79)110)33-42-16-20-45(105)21-17-42)25-27-60(109)87-28-8-7-12-48(66(114)102-57(36-59(78)108)71(119)99-54(32-39(2)3)72(120)103-61)95-69(117)55(34-43-18-22-46(106)23-19-43)100-70(118)56(35-44-37-86-38-91-44)101-63(111)47(92-41(5)104)13-9-29-88-74(80)81/h16-23,37-40,47-57,61,105-106H,6-15,24-36H2,1-5H3,(H2,77,107)(H2,78,108)(H2,79,110)(H,86,91)(H,87,109)(H,92,104)(H,93,116)(H,94,115)(H,95,117)(H,96,112)(H,97,121)(H,98,113)(H,99,119)(H,100,118)(H,101,111)(H,102,114)(H,103,120)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)/t40-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,61+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from NPY1 receptor expressed in human SK-N-MC cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50197014
PNG
(AcNPY(25-36) | CHEMBL411793)
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](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(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O |wU:16.16,8.8,4.3,99.109,52.52,72.72,wD:24.85,2.2,109.120,34.38,41.41,87.98,61.61,(21.95,-18.8,;20.64,-19.6,;19.29,-18.85,;19.25,-17.31,;17.96,-19.65,;16.61,-18.91,;15.29,-19.71,;15.33,-21.25,;13.94,-18.96,;13.92,-17.42,;15.24,-16.63,;15.23,-15.09,;16.58,-17.37,;12.61,-19.74,;11.26,-18.99,;11.25,-17.45,;9.93,-19.76,;8.6,-18.98,;8.6,-17.44,;9.97,-16.7,;7.27,-16.66,;9.92,-21.3,;8.59,-22.08,;7.25,-21.32,;8.6,-23.61,;9.92,-24.3,;9.94,-25.87,;11.29,-26.64,;12.65,-25.84,;14,-26.57,;15.36,-25.84,;15.36,-24.29,;16.7,-26.61,;17.68,-24.49,;19.38,-23.48,;19.34,-21.94,;18,-21.19,;16.68,-21.99,;20.71,-24.24,;20.72,-25.77,;22.06,-23.49,;23.4,-24.25,;23.41,-25.77,;24.75,-26.53,;24.76,-28.04,;26.09,-28.81,;26.09,-30.35,;24.83,-31.11,;27.46,-31.11,;24.74,-23.47,;24.73,-21.92,;26.08,-24.23,;27.4,-23.44,;27.4,-21.89,;26.05,-21.11,;26.04,-19.61,;27.32,-18.8,;24.7,-18.84,;28.72,-24.19,;28.72,-25.71,;30.05,-23.43,;31.39,-24.2,;31.39,-25.71,;32.74,-26.49,;32.75,-28,;34.09,-28.77,;34.12,-30.31,;32.8,-31.05,;35.45,-31.06,;32.73,-23.42,;32.72,-21.87,;34.07,-24.18,;35.4,-23.42,;35.4,-21.87,;36.7,-21.11,;36.7,-19.55,;38,-18.79,;39.31,-19.54,;40.6,-18.66,;39.32,-21.05,;38.02,-21.86,;36.72,-24.17,;38.05,-23.39,;36.72,-25.67,;7.29,-24.41,;7.34,-25.96,;8.68,-26.7,;6.02,-26.76,;6.06,-28.31,;7.41,-29.04,;7.44,-30.58,;8.8,-31.31,;10.11,-30.51,;11.49,-31.27,;10.07,-28.96,;8.71,-28.23,;4.66,-26.04,;3.33,-26.81,;3.36,-28.35,;1.97,-26.08,;1.94,-24.53,;3.25,-23.73,;3.37,-22.19,;4.87,-21.83,;5.67,-23.15,;4.67,-24.32,;.68,-26.91,;-.67,-26.16,;-.71,-24.62,;-1.99,-26.96,;-1.94,-28.5,;-3.26,-29.31,;-3.22,-30.85,;-4.52,-31.68,;-4.51,-33.22,;-5.82,-34.03,;-3.17,-33.95,;-3.34,-26.23,;-4.66,-27.03,;-6.02,-26.3,;-4.62,-28.58,)|
Show InChI InChI=1S/C76H119N27O18/c1-6-40(4)61-73(121)97-52(68(116)93-49(14-10-30-89-75(82)83)64(112)96-51(24-26-58(77)107)67(115)94-50(15-11-31-90-76(84)85)65(113)98-53(62(79)110)33-42-16-20-45(105)21-17-42)25-27-60(109)87-28-8-7-12-48(66(114)102-57(36-59(78)108)71(119)99-54(32-39(2)3)72(120)103-61)95-69(117)55(34-43-18-22-46(106)23-19-43)100-70(118)56(35-44-37-86-38-91-44)101-63(111)47(92-41(5)104)13-9-29-88-74(80)81/h16-23,37-40,47-57,61,105-106H,6-15,24-36H2,1-5H3,(H2,77,107)(H2,78,108)(H2,79,110)(H,86,91)(H,87,109)(H,92,104)(H,93,116)(H,94,115)(H,95,117)(H,96,112)(H,97,121)(H,98,113)(H,99,119)(H,100,118)(H,101,111)(H,102,114)(H,103,120)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)/t40-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,61+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from NPY5 receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50197014
PNG
(AcNPY(25-36) | CHEMBL411793)
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](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(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O |wU:16.16,8.8,4.3,99.109,52.52,72.72,wD:24.85,2.2,109.120,34.38,41.41,87.98,61.61,(21.95,-18.8,;20.64,-19.6,;19.29,-18.85,;19.25,-17.31,;17.96,-19.65,;16.61,-18.91,;15.29,-19.71,;15.33,-21.25,;13.94,-18.96,;13.92,-17.42,;15.24,-16.63,;15.23,-15.09,;16.58,-17.37,;12.61,-19.74,;11.26,-18.99,;11.25,-17.45,;9.93,-19.76,;8.6,-18.98,;8.6,-17.44,;9.97,-16.7,;7.27,-16.66,;9.92,-21.3,;8.59,-22.08,;7.25,-21.32,;8.6,-23.61,;9.92,-24.3,;9.94,-25.87,;11.29,-26.64,;12.65,-25.84,;14,-26.57,;15.36,-25.84,;15.36,-24.29,;16.7,-26.61,;17.68,-24.49,;19.38,-23.48,;19.34,-21.94,;18,-21.19,;16.68,-21.99,;20.71,-24.24,;20.72,-25.77,;22.06,-23.49,;23.4,-24.25,;23.41,-25.77,;24.75,-26.53,;24.76,-28.04,;26.09,-28.81,;26.09,-30.35,;24.83,-31.11,;27.46,-31.11,;24.74,-23.47,;24.73,-21.92,;26.08,-24.23,;27.4,-23.44,;27.4,-21.89,;26.05,-21.11,;26.04,-19.61,;27.32,-18.8,;24.7,-18.84,;28.72,-24.19,;28.72,-25.71,;30.05,-23.43,;31.39,-24.2,;31.39,-25.71,;32.74,-26.49,;32.75,-28,;34.09,-28.77,;34.12,-30.31,;32.8,-31.05,;35.45,-31.06,;32.73,-23.42,;32.72,-21.87,;34.07,-24.18,;35.4,-23.42,;35.4,-21.87,;36.7,-21.11,;36.7,-19.55,;38,-18.79,;39.31,-19.54,;40.6,-18.66,;39.32,-21.05,;38.02,-21.86,;36.72,-24.17,;38.05,-23.39,;36.72,-25.67,;7.29,-24.41,;7.34,-25.96,;8.68,-26.7,;6.02,-26.76,;6.06,-28.31,;7.41,-29.04,;7.44,-30.58,;8.8,-31.31,;10.11,-30.51,;11.49,-31.27,;10.07,-28.96,;8.71,-28.23,;4.66,-26.04,;3.33,-26.81,;3.36,-28.35,;1.97,-26.08,;1.94,-24.53,;3.25,-23.73,;3.37,-22.19,;4.87,-21.83,;5.67,-23.15,;4.67,-24.32,;.68,-26.91,;-.67,-26.16,;-.71,-24.62,;-1.99,-26.96,;-1.94,-28.5,;-3.26,-29.31,;-3.22,-30.85,;-4.52,-31.68,;-4.51,-33.22,;-5.82,-34.03,;-3.17,-33.95,;-3.34,-26.23,;-4.66,-27.03,;-6.02,-26.3,;-4.62,-28.58,)|
Show InChI InChI=1S/C76H119N27O18/c1-6-40(4)61-73(121)97-52(68(116)93-49(14-10-30-89-75(82)83)64(112)96-51(24-26-58(77)107)67(115)94-50(15-11-31-90-76(84)85)65(113)98-53(62(79)110)33-42-16-20-45(105)21-17-42)25-27-60(109)87-28-8-7-12-48(66(114)102-57(36-59(78)108)71(119)99-54(32-39(2)3)72(120)103-61)95-69(117)55(34-43-18-22-46(106)23-19-43)100-70(118)56(35-44-37-86-38-91-44)101-63(111)47(92-41(5)104)13-9-29-88-74(80)81/h16-23,37-40,47-57,61,105-106H,6-15,24-36H2,1-5H3,(H2,77,107)(H2,78,108)(H2,79,110)(H,86,91)(H,87,109)(H,92,104)(H,93,116)(H,94,115)(H,95,117)(H,96,112)(H,97,121)(H,98,113)(H,99,119)(H,100,118)(H,101,111)(H,102,114)(H,103,120)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)/t40-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,61+/m1/s1
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n/an/an/an/a 31n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human NPY2 receptor expressed in human KAN-TS cells by [35S]GTPgammaS incorporation assay


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair