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BDBM64821 MLS-0244945.0001::N-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide::N-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-4-(4-methylpiperidino)thieno[2,3-d]pyrimidine-6-carboxamide::N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide::N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide::cid_4137223

SMILES: CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c12

InChI Key: InChIKey=LSRCNJCFUYNBMB-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 64821   
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 protein 1


(Homo sapiens (Human))
BDBM64821
PNG
(MLS-0244945.0001 | N-(3-fluoranyl-4-methyl-phenyl)...)
Show SMILES CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c12
Show InChI InChI=1S/C22H25FN4OS/c1-12-7-9-27(10-8-12)20-18-14(3)19(29-22(18)25-15(4)24-20)21(28)26-16-6-5-13(2)17(23)11-16/h5-6,11-12H,7-10H2,1-4H3,(H,26,28)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.10E+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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM64821
PNG
(MLS-0244945.0001 | N-(3-fluoranyl-4-methyl-phenyl)...)
Show SMILES CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c12
Show InChI InChI=1S/C22H25FN4OS/c1-12-7-9-27(10-8-12)20-18-14(3)19(29-22(18)25-15(4)24-20)21(28)26-16-6-5-13(2)17(23)11-16/h5-6,11-12H,7-10H2,1-4H3,(H,26,28)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair