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BDBM50301192 6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine::CHEMBL585711

SMILES: Cc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF

InChI Key: InChIKey=BHHGCAUKPABREW-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 50301192   
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))
BDBM50301192
PNG
(6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)meth...)
Show SMILES Cc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
Show InChI InChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(26-21)14-30-22-27-20(12-23)16(2)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,26)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor


Bioorg Med Chem Lett 19: 5124-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.030
BindingDB Entry DOI: 10.7270/Q26M36WZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50301192
PNG
(6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)meth...)
Show SMILES Cc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
Show InChI InChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(26-21)14-30-22-27-20(12-23)16(2)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,26)
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 19: 5124-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.030
BindingDB Entry DOI: 10.7270/Q26M36WZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50301192
PNG
(6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)meth...)
Show SMILES Cc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
Show InChI InChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(26-21)14-30-22-27-20(12-23)16(2)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY5 receptor


Bioorg Med Chem Lett 19: 5124-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.030
BindingDB Entry DOI: 10.7270/Q26M36WZ
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50301192
PNG
(6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)meth...)
Show SMILES Cc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
Show InChI InChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(26-21)14-30-22-27-20(12-23)16(2)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY4 receptor


Bioorg Med Chem Lett 19: 5124-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.030
BindingDB Entry DOI: 10.7270/Q26M36WZ
More data for this
Ligand-Target Pair