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BDBM34503 3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile::3-cyclohexyl-8-(2-methoxy-1-naphthalenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile::3-cyclohexyl-8-(2-methoxynaphthalen-1-yl)-6-oxidanylidene-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile::3-cyclohexyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile::MLS000117271::SMR000094223::cid_5307697

SMILES: COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1

InChI Key: InChIKey=AQXJFHKCXZSEEY-UHFFFAOYSA-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 = 34503   
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))
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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1.29E+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))
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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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
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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n/an/a 5.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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n/an/a 632n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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n/an/a 632n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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n/an/a 1.97E+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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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n/an/a 3.62E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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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