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SMILES: Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1cccc2ccccc12

InChI Key: InChIKey=GBHOCHDIBBYAKD-UHFFFAOYSA-N

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 5 hits for monomerid = 37835   
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))
BDBM37835
PNG
(2-methyl-3-(1-naphthyl)-4,5,6,7-tetrahydro-8H-cycl...)
Show SMILES Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1cccc2ccccc12 |(8.07,-3.45,;8.84,-2.12,;10.36,-1.96,;10.68,-.47,;9.35,.3,;9.35,1.84,;10.68,2.61,;11,4.11,;12.53,4.27,;13.15,2.87,;12.01,1.84,;12.01,.3,;13.35,-.47,;8.21,-.72,;6.71,-.4,;6.23,1.06,;4.72,1.38,;3.69,.23,;4.17,-1.23,;3.08,-2.41,;3.57,-3.94,;5.14,-4.27,;6.2,-3.07,;5.68,-1.55,)|
Show InChI InChI=1S/C20H17N3O/c1-12-18(15-9-4-7-13-6-2-3-8-14(13)15)19-21-17-11-5-10-16(17)20(24)23(19)22-12/h2-4,6-9,22H,5,10-11H2,1H3
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PCBioAssay
3.51E+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))
BDBM37835
PNG
(2-methyl-3-(1-naphthyl)-4,5,6,7-tetrahydro-8H-cycl...)
Show SMILES Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1cccc2ccccc12 |(8.07,-3.45,;8.84,-2.12,;10.36,-1.96,;10.68,-.47,;9.35,.3,;9.35,1.84,;10.68,2.61,;11,4.11,;12.53,4.27,;13.15,2.87,;12.01,1.84,;12.01,.3,;13.35,-.47,;8.21,-.72,;6.71,-.4,;6.23,1.06,;4.72,1.38,;3.69,.23,;4.17,-1.23,;3.08,-2.41,;3.57,-3.94,;5.14,-4.27,;6.2,-3.07,;5.68,-1.55,)|
Show InChI InChI=1S/C20H17N3O/c1-12-18(15-9-4-7-13-6-2-3-8-14(13)15)19-21-17-11-5-10-16(17)20(24)23(19)22-12/h2-4,6-9,22H,5,10-11H2,1H3
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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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM37835
PNG
(2-methyl-3-(1-naphthyl)-4,5,6,7-tetrahydro-8H-cycl...)
Show SMILES Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1cccc2ccccc12 |(8.07,-3.45,;8.84,-2.12,;10.36,-1.96,;10.68,-.47,;9.35,.3,;9.35,1.84,;10.68,2.61,;11,4.11,;12.53,4.27,;13.15,2.87,;12.01,1.84,;12.01,.3,;13.35,-.47,;8.21,-.72,;6.71,-.4,;6.23,1.06,;4.72,1.38,;3.69,.23,;4.17,-1.23,;3.08,-2.41,;3.57,-3.94,;5.14,-4.27,;6.2,-3.07,;5.68,-1.55,)|
Show InChI InChI=1S/C20H17N3O/c1-12-18(15-9-4-7-13-6-2-3-8-14(13)15)19-21-17-11-5-10-16(17)20(24)23(19)22-12/h2-4,6-9,22H,5,10-11H2,1H3
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n/an/an/an/a 8.52E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37835
PNG
(2-methyl-3-(1-naphthyl)-4,5,6,7-tetrahydro-8H-cycl...)
Show SMILES Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1cccc2ccccc12 |(8.07,-3.45,;8.84,-2.12,;10.36,-1.96,;10.68,-.47,;9.35,.3,;9.35,1.84,;10.68,2.61,;11,4.11,;12.53,4.27,;13.15,2.87,;12.01,1.84,;12.01,.3,;13.35,-.47,;8.21,-.72,;6.71,-.4,;6.23,1.06,;4.72,1.38,;3.69,.23,;4.17,-1.23,;3.08,-2.41,;3.57,-3.94,;5.14,-4.27,;6.2,-3.07,;5.68,-1.55,)|
Show InChI InChI=1S/C20H17N3O/c1-12-18(15-9-4-7-13-6-2-3-8-14(13)15)19-21-17-11-5-10-16(17)20(24)23(19)22-12/h2-4,6-9,22H,5,10-11H2,1H3
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n/an/a 5.37E+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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37835
PNG
(2-methyl-3-(1-naphthyl)-4,5,6,7-tetrahydro-8H-cycl...)
Show SMILES Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1cccc2ccccc12 |(8.07,-3.45,;8.84,-2.12,;10.36,-1.96,;10.68,-.47,;9.35,.3,;9.35,1.84,;10.68,2.61,;11,4.11,;12.53,4.27,;13.15,2.87,;12.01,1.84,;12.01,.3,;13.35,-.47,;8.21,-.72,;6.71,-.4,;6.23,1.06,;4.72,1.38,;3.69,.23,;4.17,-1.23,;3.08,-2.41,;3.57,-3.94,;5.14,-4.27,;6.2,-3.07,;5.68,-1.55,)|
Show InChI InChI=1S/C20H17N3O/c1-12-18(15-9-4-7-13-6-2-3-8-14(13)15)19-21-17-11-5-10-16(17)20(24)23(19)22-12/h2-4,6-9,22H,5,10-11H2,1H3
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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