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BDBM37725 2-[[3-(5-chloranyl-2-methoxy-phenyl)-7-oxidanylidene-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide::2-[[3-(5-chloro-2-methoxy-phenyl)-7-keto-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-5-yl]thio]-N-(tetrahydrofurfuryl)acetamide::2-[[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide::2-[[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-5-yl]thio]-N-(2-oxolanylmethyl)acetamide::2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}-N-(tetrahydrofuran-2-ylmethyl)acetamide::MLS000095480::SMR000031034::cid_3241209

SMILES: COc1ccc(Cl)cc1-n1c2nc(SCC(=O)NCC3CCCO3)[nH]c(=O)c2sc1=S

InChI Key: InChIKey=ZBRZFDLGEZGKKO-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 37725   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37725
PNG
(2-[[3-(5-chloranyl-2-methoxy-phenyl)-7-oxidanylide...)
Show SMILES COc1ccc(Cl)cc1-n1c2nc(SCC(=O)NCC3CCCO3)[nH]c(=O)c2sc1=S |(22.17,.5,;20.66,.18,;19.63,1.33,;20.11,2.79,;19.08,3.94,;17.57,3.62,;16.54,4.77,;17.09,2.16,;18.12,1.01,;17.64,-.45,;16.19,-.92,;14.85,-.15,;13.52,-.92,;12.19,-.15,;10.85,-.92,;9.52,-.15,;9.52,1.39,;8.18,-.92,;6.85,-.15,;5.52,-.92,;5.36,-2.45,;3.85,-2.77,;3.08,-1.44,;4.11,-.29,;13.52,-2.46,;14.85,-3.23,;14.85,-4.77,;16.19,-2.46,;17.64,-2.93,;18.54,-1.69,;20.08,-1.69,)|
Show InChI InChI=1S/C19H19ClN4O4S3/c1-27-13-5-4-10(20)7-12(13)24-16-15(31-19(24)29)17(26)23-18(22-16)30-9-14(25)21-8-11-3-2-6-28-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,23,26)
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6.10E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37725
PNG
(2-[[3-(5-chloranyl-2-methoxy-phenyl)-7-oxidanylide...)
Show SMILES COc1ccc(Cl)cc1-n1c2nc(SCC(=O)NCC3CCCO3)[nH]c(=O)c2sc1=S |(22.17,.5,;20.66,.18,;19.63,1.33,;20.11,2.79,;19.08,3.94,;17.57,3.62,;16.54,4.77,;17.09,2.16,;18.12,1.01,;17.64,-.45,;16.19,-.92,;14.85,-.15,;13.52,-.92,;12.19,-.15,;10.85,-.92,;9.52,-.15,;9.52,1.39,;8.18,-.92,;6.85,-.15,;5.52,-.92,;5.36,-2.45,;3.85,-2.77,;3.08,-1.44,;4.11,-.29,;13.52,-2.46,;14.85,-3.23,;14.85,-4.77,;16.19,-2.46,;17.64,-2.93,;18.54,-1.69,;20.08,-1.69,)|
Show InChI InChI=1S/C19H19ClN4O4S3/c1-27-13-5-4-10(20)7-12(13)24-16-15(31-19(24)29)17(26)23-18(22-16)30-9-14(25)21-8-11-3-2-6-28-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,23,26)
PDB

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>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37725
PNG
(2-[[3-(5-chloranyl-2-methoxy-phenyl)-7-oxidanylide...)
Show SMILES COc1ccc(Cl)cc1-n1c2nc(SCC(=O)NCC3CCCO3)[nH]c(=O)c2sc1=S |(22.17,.5,;20.66,.18,;19.63,1.33,;20.11,2.79,;19.08,3.94,;17.57,3.62,;16.54,4.77,;17.09,2.16,;18.12,1.01,;17.64,-.45,;16.19,-.92,;14.85,-.15,;13.52,-.92,;12.19,-.15,;10.85,-.92,;9.52,-.15,;9.52,1.39,;8.18,-.92,;6.85,-.15,;5.52,-.92,;5.36,-2.45,;3.85,-2.77,;3.08,-1.44,;4.11,-.29,;13.52,-2.46,;14.85,-3.23,;14.85,-4.77,;16.19,-2.46,;17.64,-2.93,;18.54,-1.69,;20.08,-1.69,)|
Show InChI InChI=1S/C19H19ClN4O4S3/c1-27-13-5-4-10(20)7-12(13)24-16-15(31-19(24)29)17(26)23-18(22-16)30-9-14(25)21-8-11-3-2-6-28-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,23,26)
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n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37725
PNG
(2-[[3-(5-chloranyl-2-methoxy-phenyl)-7-oxidanylide...)
Show SMILES COc1ccc(Cl)cc1-n1c2nc(SCC(=O)NCC3CCCO3)[nH]c(=O)c2sc1=S |(22.17,.5,;20.66,.18,;19.63,1.33,;20.11,2.79,;19.08,3.94,;17.57,3.62,;16.54,4.77,;17.09,2.16,;18.12,1.01,;17.64,-.45,;16.19,-.92,;14.85,-.15,;13.52,-.92,;12.19,-.15,;10.85,-.92,;9.52,-.15,;9.52,1.39,;8.18,-.92,;6.85,-.15,;5.52,-.92,;5.36,-2.45,;3.85,-2.77,;3.08,-1.44,;4.11,-.29,;13.52,-2.46,;14.85,-3.23,;14.85,-4.77,;16.19,-2.46,;17.64,-2.93,;18.54,-1.69,;20.08,-1.69,)|
Show InChI InChI=1S/C19H19ClN4O4S3/c1-27-13-5-4-10(20)7-12(13)24-16-15(31-19(24)29)17(26)23-18(22-16)30-9-14(25)21-8-11-3-2-6-28-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,23,26)
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n/an/a 9.30E+3n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair