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BDBM35408 1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidinosulfonyl-quinoline-3-carboxamide::1-ethyl-N-(4-methylcyclohexyl)-4-oxidanylidene-6-piperidin-1-ylsulfonyl-quinoline-3-carboxamide::1-ethyl-N-(4-methylcyclohexyl)-4-oxo-6-(1-piperidinylsulfonyl)-3-quinolinecarboxamide::1-ethyl-N-(4-methylcyclohexyl)-4-oxo-6-(piperidin-1-ylsulfonyl)-1,4-dihydroquinoline-3-carboxamide::1-ethyl-N-(4-methylcyclohexyl)-4-oxo-6-piperidin-1-ylsulfonylquinoline-3-carboxamide::MLS000095119::SMR000030673::cid_3243811

SMILES: CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1

InChI Key: InChIKey=SWYONAXPULVWFA-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 35408   
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))
BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
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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))
BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
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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
MKP-3


(Rattus norvegicus)
BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
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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
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
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n/an/a 4.86E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
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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