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BDBM37753 MLS000091388::S-(2-{[(2Z)-6-fluoro-3-methyl-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl) ethanethioate::S-[2-[(6-fluoranyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl] ethanethioate::S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate::SMR000025945::cid_3245907::ethanethioic acid S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl] ester::ethanethioic acid S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ester

SMILES: CC(=O)SCC(=O)N=c1sc2cc(F)ccc2n1C

InChI Key: InChIKey=WUTFPSSFXUKIAY-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 = 37753   
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))
BDBM37753
PNG
(MLS000091388 | S-(2-{[(2Z)-6-fluoro-3-methyl-1,3-b...)
Show SMILES CC(=O)SCC(=O)N=c1sc2cc(F)ccc2n1C |w:7.6|
Show InChI InChI=1S/C12H11FN2O2S2/c1-7(16)18-6-11(17)14-12-15(2)9-4-3-8(13)5-10(9)19-12/h3-5H,6H2,1-2H3
PDB

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KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
1.49E+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/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37753
PNG
(MLS000091388 | S-(2-{[(2Z)-6-fluoro-3-methyl-1,3-b...)
Show SMILES CC(=O)SCC(=O)N=c1sc2cc(F)ccc2n1C |w:7.6|
Show InChI InChI=1S/C12H11FN2O2S2/c1-7(16)18-6-11(17)14-12-15(2)9-4-3-8(13)5-10(9)19-12/h3-5H,6H2,1-2H3
PDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
>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))
BDBM37753
PNG
(MLS000091388 | S-(2-{[(2Z)-6-fluoro-3-methyl-1,3-b...)
Show SMILES CC(=O)SCC(=O)N=c1sc2cc(F)ccc2n1C |w:7.6|
Show InChI InChI=1S/C12H11FN2O2S2/c1-7(16)18-6-11(17)14-12-15(2)9-4-3-8(13)5-10(9)19-12/h3-5H,6H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

antibodypedia
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KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
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))
BDBM37753
PNG
(MLS000091388 | S-(2-{[(2Z)-6-fluoro-3-methyl-1,3-b...)
Show SMILES CC(=O)SCC(=O)N=c1sc2cc(F)ccc2n1C |w:7.6|
Show InChI InChI=1S/C12H11FN2O2S2/c1-7(16)18-6-11(17)14-12-15(2)9-4-3-8(13)5-10(9)19-12/h3-5H,6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.28E+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/Q2J67FB5
More data for this
Ligand-Target Pair