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BDBM50380914 S-2367::VELNEPERIT

SMILES: CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=WGEWUYACXPEFPO-AULYBMBSSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50380914   
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 5


(Homo sapiens (Human))
BDBM50380914
PNG
(S-2367 | VELNEPERIT)
Show SMILES CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r,wU:8.7,wD:11.14,(16.68,6.49,;16.68,4.95,;15.35,4.18,;15.34,5.72,;18.02,4.19,;19.1,5.29,;19.5,3.8,;18.02,2.65,;19.36,1.88,;20.69,2.66,;22.02,1.88,;22.02,.34,;20.69,-.42,;19.36,.34,;23.35,-.43,;23.35,-1.97,;24.68,.34,;26.02,-.43,;26.01,-1.97,;27.34,-2.74,;28.68,-1.97,;28.67,-.43,;27.34,.34,;30.01,-2.74,;30.01,-4.28,;31.34,-1.97,;31.34,-3.51,)|
Show InChI InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)/t11-,13-
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antibodypedia
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50380914
PNG
(S-2367 | VELNEPERIT)
Show SMILES CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r,wU:8.7,wD:11.14,(16.68,6.49,;16.68,4.95,;15.35,4.18,;15.34,5.72,;18.02,4.19,;19.1,5.29,;19.5,3.8,;18.02,2.65,;19.36,1.88,;20.69,2.66,;22.02,1.88,;22.02,.34,;20.69,-.42,;19.36,.34,;23.35,-.43,;23.35,-1.97,;24.68,.34,;26.02,-.43,;26.01,-1.97,;27.34,-2.74,;28.68,-1.97,;28.67,-.43,;27.34,.34,;30.01,-2.74,;30.01,-4.28,;31.34,-1.97,;31.34,-3.51,)|
Show InChI InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)/t11-,13-
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PC sid
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n/an/a 4.60n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50380914
PNG
(S-2367 | VELNEPERIT)
Show SMILES CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r,wU:8.7,wD:11.14,(16.68,6.49,;16.68,4.95,;15.35,4.18,;15.34,5.72,;18.02,4.19,;19.1,5.29,;19.5,3.8,;18.02,2.65,;19.36,1.88,;20.69,2.66,;22.02,1.88,;22.02,.34,;20.69,-.42,;19.36,.34,;23.35,-.43,;23.35,-1.97,;24.68,.34,;26.02,-.43,;26.01,-1.97,;27.34,-2.74,;28.68,-1.97,;28.67,-.43,;27.34,.34,;30.01,-2.74,;30.01,-4.28,;31.34,-1.97,;31.34,-3.51,)|
Show InChI InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)/t11-,13-
Reactome pathway
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair