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BDBM77198 5,6-dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]thieno[2,3-d]pyrimidine::5,6-dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine::5,6-dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazino]thieno[2,3-d]pyrimidine::5,6-dimethyl-4-{4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl}thieno[2,3-d]pyrimidine::MLS000537743::SMR000143981::cid_1999904

SMILES: Cc1sc2ncnc(N3CCN(CCOc4ccc(C)cc4)CC3)c2c1C

InChI Key: InChIKey=FSCHTKXZGZZBEI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 77198   
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
Zinc finger protein GLI1


(Mus musculus)
BDBM77198
PNG
(5,6-dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]-1-pip...)
Show SMILES Cc1sc2ncnc(N3CCN(CCOc4ccc(C)cc4)CC3)c2c1C
Show InChI InChI=1S/C21H26N4OS/c1-15-4-6-18(7-5-15)26-13-12-24-8-10-25(11-9-24)20-19-16(2)17(3)27-21(19)23-14-22-20/h4-7,14H,8-13H2,1-3H3
PDB
MMDB

B.MOAD
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UniChem

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PCBioAssay
n/an/a 2.90E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM77198
PNG
(5,6-dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]-1-pip...)
Show SMILES Cc1sc2ncnc(N3CCN(CCOc4ccc(C)cc4)CC3)c2c1C
Show InChI InChI=1S/C21H26N4OS/c1-15-4-6-18(7-5-15)26-13-12-24-8-10-25(11-9-24)20-19-16(2)17(3)27-21(19)23-14-22-20/h4-7,14H,8-13H2,1-3H3
MMDB

KEGG

UniProtKB/SwissProt

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UniChem

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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
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM77198
PNG
(5,6-dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]-1-pip...)
Show SMILES Cc1sc2ncnc(N3CCN(CCOc4ccc(C)cc4)CC3)c2c1C
Show InChI InChI=1S/C21H26N4OS/c1-15-4-6-18(7-5-15)26-13-12-24-8-10-25(11-9-24)20-19-16(2)17(3)27-21(19)23-14-22-20/h4-7,14H,8-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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n/an/a 4.98E+3n/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
Protein Wnt-3a


(Mus musculus)
BDBM77198
PNG
(5,6-dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]-1-pip...)
Show SMILES Cc1sc2ncnc(N3CCN(CCOc4ccc(C)cc4)CC3)c2c1C
Show InChI InChI=1S/C21H26N4OS/c1-15-4-6-18(7-5-15)26-13-12-24-8-10-25(11-9-24)20-19-16(2)17(3)27-21(19)23-14-22-20/h4-7,14H,8-13H2,1-3H3
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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n/an/a 282n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair