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SMILES: Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12

InChI Key: InChIKey=CAHUZYYLADXTHI-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 6 hits for monomerid = 38963   
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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM38963
PNG
(5-(benzoxymethyl)-7-(piperidinomethyl)quinolin-8-o...)
Show SMILES Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
Show InChI InChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2
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PCBioAssay
n/an/a 7.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM38963
PNG
(5-(benzoxymethyl)-7-(piperidinomethyl)quinolin-8-o...)
Show SMILES Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
Show InChI InChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2
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n/an/a 7.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 [1-36]


(Homo sapiens (Human))
BDBM38963
PNG
(5-(benzoxymethyl)-7-(piperidinomethyl)quinolin-8-o...)
Show SMILES Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
Show InChI InChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2
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n/an/an/an/a 6.94E+3n/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM38963
PNG
(5-(benzoxymethyl)-7-(piperidinomethyl)quinolin-8-o...)
Show SMILES Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
Show InChI InChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2
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n/an/a 1.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM38963
PNG
(5-(benzoxymethyl)-7-(piperidinomethyl)quinolin-8-o...)
Show SMILES Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
Show InChI InChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2
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n/an/a 2.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM38963
PNG
(5-(benzoxymethyl)-7-(piperidinomethyl)quinolin-8-o...)
Show SMILES Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
Show InChI InChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair