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BDBM62310 MLS-0425625.0001::N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide::N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-pyrazole-3-carboxamide::N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide::cid_44251464

SMILES: Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1

InChI Key: InChIKey=HPSVJRBUHQCFRE-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 = 62310   
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))
BDBM62310
PNG
(MLS-0425625.0001 | N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
Show InChI InChI=1S/C19H20FN5O/c1-12-10-18(24(2)23-12)19(26)22-15-7-5-9-16-13(15)11-21-25(16)17-8-4-3-6-14(17)20/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,22,26)
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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 146n/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))
BDBM62310
PNG
(MLS-0425625.0001 | N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
Show InChI InChI=1S/C19H20FN5O/c1-12-10-18(24(2)23-12)19(26)22-15-7-5-9-16-13(15)11-21-25(16)17-8-4-3-6-14(17)20/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,22,26)
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n/an/a>2.00E+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/Q2PR7TDC
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM62310
PNG
(MLS-0425625.0001 | N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
Show InChI InChI=1S/C19H20FN5O/c1-12-10-18(24(2)23-12)19(26)22-15-7-5-9-16-13(15)11-21-25(16)17-8-4-3-6-14(17)20/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,22,26)
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n/an/a 2.00E+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/Q2TH8K43
More data for this
Ligand-Target Pair