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BDBM75603 (5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-methoxy-2-methylimino-thiazolidin-4-one::(5Z)-5-[[1-[(2,6-difluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]methylidene]-3-methoxy-2-methylimino-4-thiazolidinone::(5Z)-5-[[1-[(2,6-difluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-methoxy-2-methylimino-1,3-thiazolidin-4-one::(5Z)-5-[[1-[[2,6-bis(fluoranyl)phenyl]methyl]-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methoxy-2-methylimino-1,3-thiazolidin-4-one::CYM50181::SR-02000000305::SR-02000000305-1::cid_44620879

SMILES: CON1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(Cc2c(F)cccc2F)c1C

InChI Key: InChIKey=FMZYJKYHJWRKPB-UYMBLXCVSA-N

Data: 5 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 5 hits for monomerid = 75603   
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
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM75603
PNG
((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...)
Show SMILES CON1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(Cc2c(F)cccc2F)c1C
Show InChI InChI=1S/C19H19F2N3O2S/c1-11-8-13(9-17-18(25)24(26-4)19(22-3)27-17)12(2)23(11)10-14-15(20)6-5-7-16(14)21/h5-9H,10H2,1-4H3/b17-9-,22-19-
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PCBioAssay
n/an/an/an/a 88.6n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2610XS9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM75603
PNG
((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...)
Show SMILES CON1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(Cc2c(F)cccc2F)c1C
Show InChI InChI=1S/C19H19F2N3O2S/c1-11-8-13(9-17-18(25)24(26-4)19(22-3)27-17)12(2)23(11)10-14-15(20)6-5-7-16(14)21/h5-9H,10H2,1-4H3/b17-9-,22-19-
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n/an/an/an/a 113n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2XG9PMK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM75603
PNG
((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...)
Show SMILES CON1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(Cc2c(F)cccc2F)c1C
Show InChI InChI=1S/C19H19F2N3O2S/c1-11-8-13(9-17-18(25)24(26-4)19(22-3)27-17)12(2)23(11)10-14-15(20)6-5-7-16(14)21/h5-9H,10H2,1-4H3/b17-9-,22-19-
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n/an/an/an/a 339n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WM1BVM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM75603
PNG
((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...)
Show SMILES CON1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(Cc2c(F)cccc2F)c1C
Show InChI InChI=1S/C19H19F2N3O2S/c1-11-8-13(9-17-18(25)24(26-4)19(22-3)27-17)12(2)23(11)10-14-15(20)6-5-7-16(14)21/h5-9H,10H2,1-4H3/b17-9-,22-19-
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2J964VT
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM75603
PNG
((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...)
Show SMILES CON1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(Cc2c(F)cccc2F)c1C
Show InChI InChI=1S/C19H19F2N3O2S/c1-11-8-13(9-17-18(25)24(26-4)19(22-3)27-17)12(2)23(11)10-14-15(20)6-5-7-16(14)21/h5-9H,10H2,1-4H3/b17-9-,22-19-
NCI pathway
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antibodypedia
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PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P26WMM
More data for this
Ligand-Target Pair