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SMILES: Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C

InChI Key: InChIKey=VZJKHXKVSRZPSC-UHFFFAOYSA-N

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 = 30820   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM30820
PNG
(2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfany...)
Show SMILES Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
Show InChI InChI=1S/C16H16N4O3S2/c1-9-10(2)25-15-13(9)14(18-8-19-15)24-7-12(21)20-16(22)17-6-11-4-3-5-23-11/h3-5,8H,6-7H2,1-2H3,(H2,17,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.90E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q21N7ZG0
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))
BDBM30820
PNG
(2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfany...)
Show SMILES Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
Show InChI InChI=1S/C16H16N4O3S2/c1-9-10(2)25-15-13(9)14(18-8-19-15)24-7-12(21)20-16(22)17-6-11-4-3-5-23-11/h3-5,8H,6-7H2,1-2H3,(H2,17,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
PCBioAssay
n/an/a 1.06E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM30820
PNG
(2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfany...)
Show SMILES Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
Show InChI InChI=1S/C16H16N4O3S2/c1-9-10(2)25-15-13(9)14(18-8-19-15)24-7-12(21)20-16(22)17-6-11-4-3-5-23-11/h3-5,8H,6-7H2,1-2H3,(H2,17,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.15E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair