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BDBM62338 MLS-0425704.0001::N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(4-methoxyphenyl)-2-methyl-3-pyrazolecarboxamide::N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(4-methoxyphenyl)-2-methyl-pyrazole-3-carboxamide::N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(4-methoxyphenyl)-2-methylpyrazole-3-carboxamide::cid_44543509

SMILES: COc1ccc(cc1)-c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1

InChI Key: InChIKey=JDMDWRLYDBPJEO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 62338   
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))
BDBM62338
PNG
(MLS-0425704.0001 | N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
Show InChI InChI=1S/C25H24FN5O2/c1-30-24(14-21(29-30)16-10-12-17(33-2)13-11-16)25(32)28-20-7-5-9-22-18(20)15-27-31(22)23-8-4-3-6-19(23)26/h3-4,6,8,10-15,20H,5,7,9H2,1-2H3,(H,28,32)
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PC cid
PC sid
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PCBioAssay
n/an/a 990n/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/Q2Z899VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62338
PNG
(MLS-0425704.0001 | N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
Show InChI InChI=1S/C25H24FN5O2/c1-30-24(14-21(29-30)16-10-12-17(33-2)13-11-16)25(32)28-20-7-5-9-22-18(20)15-27-31(22)23-8-4-3-6-19(23)26/h3-4,6,8,10-15,20H,5,7,9H2,1-2H3,(H,28,32)
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n/an/a 1.36E+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/Q2PR7TDC
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM62338
PNG
(MLS-0425704.0001 | N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
Show InChI InChI=1S/C25H24FN5O2/c1-30-24(14-21(29-30)16-10-12-17(33-2)13-11-16)25(32)28-20-7-5-9-22-18(20)15-27-31(22)23-8-4-3-6-19(23)26/h3-4,6,8,10-15,20H,5,7,9H2,1-2H3,(H,28,32)
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n/an/a 1.34E+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/Q2TH8K43
More data for this
Ligand-Target Pair