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BDBM37038 3-[(2Z)-2-[(4-methoxyphenyl)imino]-4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-3(2H)-yl]propan-1-ol::3-[2-(4-methoxyphenyl)imino-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-3-yl]propan-1-ol;hydrobromide::3-[2-(4-methoxyphenyl)imino-4-(4-morpholinosulfonylphenyl)-4-thiazolin-3-yl]propan-1-ol;hydrobromide::3-[2-(4-methoxyphenyl)imino-4-[4-(4-morpholinylsulfonyl)phenyl]-3-thiazolyl]-1-propanol;hydrobromide::MLS000047967::SMR000033965::cid_6602843

SMILES: COc1ccc(cc1)\N=c1/scc(-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1CCCO

InChI Key: InChIKey=XXLGQGKZCGPUCJ-VHXPQNKSSA-N

Data: 2 IC50  3 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 = 37038   
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 1


(Homo sapiens (Human))
BDBM37038
PNG
(3-[(2Z)-2-[(4-methoxyphenyl)imino]-4-[4-(morpholin...)
Show SMILES COc1ccc(cc1)\N=c1/scc(-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1CCCO
Show InChI InChI=1S/C23H27N3O5S2/c1-30-20-7-5-19(6-8-20)24-23-26(11-2-14-27)22(17-32-23)18-3-9-21(10-4-18)33(28,29)25-12-15-31-16-13-25/h3-10,17,27H,2,11-16H2,1H3/b24-23-
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n/an/an/an/a 1.32E+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 (2007)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37038
PNG
(3-[(2Z)-2-[(4-methoxyphenyl)imino]-4-[4-(morpholin...)
Show SMILES COc1ccc(cc1)\N=c1/scc(-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1CCCO
Show InChI InChI=1S/C23H27N3O5S2/c1-30-20-7-5-19(6-8-20)24-23-26(11-2-14-27)22(17-32-23)18-3-9-21(10-4-18)33(28,29)25-12-15-31-16-13-25/h3-10,17,27H,2,11-16H2,1H3/b24-23-
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n/an/an/an/a>3.00E+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 (2007)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM37038
PNG
(3-[(2Z)-2-[(4-methoxyphenyl)imino]-4-[4-(morpholin...)
Show SMILES COc1ccc(cc1)\N=c1/scc(-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1CCCO
Show InChI InChI=1S/C23H27N3O5S2/c1-30-20-7-5-19(6-8-20)24-23-26(11-2-14-27)22(17-32-23)18-3-9-21(10-4-18)33(28,29)25-12-15-31-16-13-25/h3-10,17,27H,2,11-16H2,1H3/b24-23-
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n/an/a 2.19E+4n/an/an/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 (2007)


Article DOI: 10.1021/cc060110n
BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM37038
PNG
(3-[(2Z)-2-[(4-methoxyphenyl)imino]-4-[4-(morpholin...)
Show SMILES COc1ccc(cc1)\N=c1/scc(-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1CCCO
Show InChI InChI=1S/C23H27N3O5S2/c1-30-20-7-5-19(6-8-20)24-23-26(11-2-14-27)22(17-32-23)18-3-9-21(10-4-18)33(28,29)25-12-15-31-16-13-25/h3-10,17,27H,2,11-16H2,1H3/b24-23-
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n/an/a 1.06E+4n/an/an/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 (2007)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37038
PNG
(3-[(2Z)-2-[(4-methoxyphenyl)imino]-4-[4-(morpholin...)
Show SMILES COc1ccc(cc1)\N=c1/scc(-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1CCCO
Show InChI InChI=1S/C23H27N3O5S2/c1-30-20-7-5-19(6-8-20)24-23-26(11-2-14-27)22(17-32-23)18-3-9-21(10-4-18)33(28,29)25-12-15-31-16-13-25/h3-10,17,27H,2,11-16H2,1H3/b24-23-
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n/an/an/an/a 1.32E+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 (2007)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair