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BDBM37775 MLS000097330::N-[5-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]acetamide::SMR000075924::cid_2033526

SMILES: COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O

InChI Key: InChIKey=YRDOMFQFSOICJQ-PEZBUJJGSA-N

Data: 2 KI  6 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 8 hits for monomerid = 37775   
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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37775
PNG
(MLS000097330 | N-[5-(8-methoxy-4,4,6-trimethyl-2-o...)
Show SMILES COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O |c:15,27|
Show InChI InChI=1S/C20H19N3O4S/c1-9-8-20(3,4)23-15-12(9)6-11(27-5)7-13(15)14(18(23)26)16-17(25)22-19(28-16)21-10(2)24/h6-8H,1-5H3,(H,21,22,24,25)/b16-14-
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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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37775
PNG
(MLS000097330 | N-[5-(8-methoxy-4,4,6-trimethyl-2-o...)
Show SMILES COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O |c:15,27|
Show InChI InChI=1S/C20H19N3O4S/c1-9-8-20(3,4)23-15-12(9)6-11(27-5)7-13(15)14(18(23)26)16-17(25)22-19(28-16)21-10(2)24/h6-8H,1-5H3,(H,21,22,24,25)/b16-14-
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>4.37E+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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM37775
PNG
(MLS000097330 | N-[5-(8-methoxy-4,4,6-trimethyl-2-o...)
Show SMILES COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O |c:15,27|
Show InChI InChI=1S/C20H19N3O4S/c1-9-8-20(3,4)23-15-12(9)6-11(27-5)7-13(15)14(18(23)26)16-17(25)22-19(28-16)21-10(2)24/h6-8H,1-5H3,(H,21,22,24,25)/b16-14-
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n/an/a 3.37E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM37775
PNG
(MLS000097330 | N-[5-(8-methoxy-4,4,6-trimethyl-2-o...)
Show SMILES COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O |c:15,27|
Show InChI InChI=1S/C20H19N3O4S/c1-9-8-20(3,4)23-15-12(9)6-11(27-5)7-13(15)14(18(23)26)16-17(25)22-19(28-16)21-10(2)24/h6-8H,1-5H3,(H,21,22,24,25)/b16-14-
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n/an/a>6.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM37775
PNG
(MLS000097330 | N-[5-(8-methoxy-4,4,6-trimethyl-2-o...)
Show SMILES COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O |c:15,27|
Show InChI InChI=1S/C20H19N3O4S/c1-9-8-20(3,4)23-15-12(9)6-11(27-5)7-13(15)14(18(23)26)16-17(25)22-19(28-16)21-10(2)24/h6-8H,1-5H3,(H,21,22,24,25)/b16-14-
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n/an/a>6.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2V40ST1
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37775
PNG
(MLS000097330 | N-[5-(8-methoxy-4,4,6-trimethyl-2-o...)
Show SMILES COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O |c:15,27|
Show InChI InChI=1S/C20H19N3O4S/c1-9-8-20(3,4)23-15-12(9)6-11(27-5)7-13(15)14(18(23)26)16-17(25)22-19(28-16)21-10(2)24/h6-8H,1-5H3,(H,21,22,24,25)/b16-14-
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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))
BDBM37775
PNG
(MLS000097330 | N-[5-(8-methoxy-4,4,6-trimethyl-2-o...)
Show SMILES COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O |c:15,27|
Show InChI InChI=1S/C20H19N3O4S/c1-9-8-20(3,4)23-15-12(9)6-11(27-5)7-13(15)14(18(23)26)16-17(25)22-19(28-16)21-10(2)24/h6-8H,1-5H3,(H,21,22,24,25)/b16-14-
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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/Q2J67FB5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM37775
PNG
(MLS000097330 | N-[5-(8-methoxy-4,4,6-trimethyl-2-o...)
Show SMILES COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O |c:15,27|
Show InChI InChI=1S/C20H19N3O4S/c1-9-8-20(3,4)23-15-12(9)6-11(27-5)7-13(15)14(18(23)26)16-17(25)22-19(28-16)21-10(2)24/h6-8H,1-5H3,(H,21,22,24,25)/b16-14-
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n/an/a 9.62E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair