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BDBM50354071 CHEMBL1836318

SMILES: CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1

InChI Key: InChIKey=KXXRJPLVGJYKNI-SHTZXODSSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50354071   
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 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354071
PNG
(CHEMBL1836318)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)|
Show InChI InChI=1S/C20H27N3O2S3/c1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20/h3-6,14-15,21H,2,7-13H2,1H3,(H,22,23)/t14-,15-
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2.80n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50354071
PNG
(CHEMBL1836318)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)|
Show InChI InChI=1S/C20H27N3O2S3/c1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20/h3-6,14-15,21H,2,7-13H2,1H3,(H,22,23)/t14-,15-
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n/an/a>1.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY4 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50354071
PNG
(CHEMBL1836318)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)|
Show InChI InChI=1S/C20H27N3O2S3/c1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20/h3-6,14-15,21H,2,7-13H2,1H3,(H,22,23)/t14-,15-
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY2 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354071
PNG
(CHEMBL1836318)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)|
Show InChI InChI=1S/C20H27N3O2S3/c1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20/h3-6,14-15,21H,2,7-13H2,1H3,(H,22,23)/t14-,15-
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Article
PubMed
n/an/a 30.8n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50354071
PNG
(CHEMBL1836318)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)|
Show InChI InChI=1S/C20H27N3O2S3/c1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20/h3-6,14-15,21H,2,7-13H2,1H3,(H,22,23)/t14-,15-
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY1 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair