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BDBM59548 3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinamine::3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-amine::3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine::MLS001165929::SMR000550192::[3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]amine::cid_1474387

SMILES: Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1

InChI Key: InChIKey=ADKOFHQQCJIEPK-UHFFFAOYSA-N

Data: 6 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 7 hits for monomerid = 59548   
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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM59548
PNG
(3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-7-p...)
Show SMILES Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClFN4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
PDB
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n/an/an/an/a 2.00E+4n/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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM59548
PNG
(3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-7-p...)
Show SMILES Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClFN4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
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n/an/a 2.34E+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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM59548
PNG
(3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-7-p...)
Show SMILES Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClFN4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
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n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM59548
PNG
(3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-7-p...)
Show SMILES Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClFN4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
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n/an/a 8.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM59548
PNG
(3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-7-p...)
Show SMILES Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClFN4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
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n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM59548
PNG
(3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-7-p...)
Show SMILES Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClFN4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
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n/an/a>8.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM59548
PNG
(3-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-7-p...)
Show SMILES Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClFN4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair