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BDBM64820 MLS-0435428.0001::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-(4-methylpiperidino)thieno[2,3-d]pyrimidine-6-carboxamide::cid_5144920

SMILES: CC1CCN(CC1)c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12

InChI Key: InChIKey=HWJXUUMJOXMQQT-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 = 64820   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM64820
PNG
(MLS-0435428.0001 | N-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES CC1CCN(CC1)c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
Show InChI InChI=1S/C22H24N4O3S/c1-13-5-7-26(8-6-13)20-18-14(2)19(30-22(18)24-12-23-20)21(27)25-15-3-4-16-17(11-15)29-10-9-28-16/h3-4,11-13H,5-10H2,1-2H3,(H,25,27)
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.14E+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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM64820
PNG
(MLS-0435428.0001 | N-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES CC1CCN(CC1)c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
Show InChI InChI=1S/C22H24N4O3S/c1-13-5-7-26(8-6-13)20-18-14(2)19(30-22(18)24-12-23-20)21(27)25-15-3-4-16-17(11-15)29-10-9-28-16/h3-4,11-13H,5-10H2,1-2H3,(H,25,27)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M6H
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM64820
PNG
(MLS-0435428.0001 | N-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES CC1CCN(CC1)c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
Show InChI InChI=1S/C22H24N4O3S/c1-13-5-7-26(8-6-13)20-18-14(2)19(30-22(18)24-12-23-20)21(27)25-15-3-4-16-17(11-15)29-10-9-28-16/h3-4,11-13H,5-10H2,1-2H3,(H,25,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.07E+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