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BDBM39053 MLS000100813::N-cyclohexyl-1-(4-methoxyphenyl)-N-methyl-4-pyrazolo[3,4-d]pyrimidinamine::N-cyclohexyl-1-(4-methoxyphenyl)-N-methyl-pyrazolo[3,4-d]pyrimidin-4-amine::N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine::SMR000017480::cid_866500::cyclohexyl-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-methyl-amine

SMILES: COc1ccc(cc1)-n1ncc2c(ncnc12)N(C)C1CCCCC1

InChI Key: InChIKey=XRCKIQRUBBOFOL-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 = 39053   
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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39053
PNG
(MLS000100813 | N-cyclohexyl-1-(4-methoxyphenyl)-N-...)
Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N(C)C1CCCCC1
Show InChI InChI=1S/C19H23N5O/c1-23(14-6-4-3-5-7-14)18-17-12-22-24(19(17)21-13-20-18)15-8-10-16(25-2)11-9-15/h8-14H,3-7H2,1-2H3
PDB
MMDB

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n/an/a 292n/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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39053
PNG
(MLS000100813 | N-cyclohexyl-1-(4-methoxyphenyl)-N-...)
Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N(C)C1CCCCC1
Show InChI InChI=1S/C19H23N5O/c1-23(14-6-4-3-5-7-14)18-17-12-22-24(19(17)21-13-20-18)15-8-10-16(25-2)11-9-15/h8-14H,3-7H2,1-2H3
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n/an/a 409n/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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM39053
PNG
(MLS000100813 | N-cyclohexyl-1-(4-methoxyphenyl)-N-...)
Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N(C)C1CCCCC1
Show InChI InChI=1S/C19H23N5O/c1-23(14-6-4-3-5-7-14)18-17-12-22-24(19(17)21-13-20-18)15-8-10-16(25-2)11-9-15/h8-14H,3-7H2,1-2H3
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n/an/a 8.11E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM39053
PNG
(MLS000100813 | N-cyclohexyl-1-(4-methoxyphenyl)-N-...)
Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N(C)C1CCCCC1
Show InChI InChI=1S/C19H23N5O/c1-23(14-6-4-3-5-7-14)18-17-12-22-24(19(17)21-13-20-18)15-8-10-16(25-2)11-9-15/h8-14H,3-7H2,1-2H3
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n/an/an/an/a 7.56E+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/Q2CN72C0
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM39053
PNG
(MLS000100813 | N-cyclohexyl-1-(4-methoxyphenyl)-N-...)
Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N(C)C1CCCCC1
Show InChI InChI=1S/C19H23N5O/c1-23(14-6-4-3-5-7-14)18-17-12-22-24(19(17)21-13-20-18)15-8-10-16(25-2)11-9-15/h8-14H,3-7H2,1-2H3
PDB

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n/an/a 1.07E+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 (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair