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SMILES: CCc1nnc(NC(=O)CSc2ncnc3c4ccccc4oc23)s1

InChI Key: InChIKey=JGGCGFDQYFVOBY-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 = 42967   
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
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM42967
PNG
(2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(5-ethyl-1...)
Show SMILES CCc1nnc(NC(=O)CSc2ncnc3c4ccccc4oc23)s1
Show InChI InChI=1S/C16H13N5O2S2/c1-2-12-20-21-16(25-12)19-11(22)7-24-15-14-13(17-8-18-15)9-5-3-4-6-10(9)23-14/h3-6,8H,2,7H2,1H3,(H,19,21,22)
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UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.35E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM42967
PNG
(2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(5-ethyl-1...)
Show SMILES CCc1nnc(NC(=O)CSc2ncnc3c4ccccc4oc23)s1
Show InChI InChI=1S/C16H13N5O2S2/c1-2-12-20-21-16(25-12)19-11(22)7-24-15-14-13(17-8-18-15)9-5-3-4-6-10(9)23-14/h3-6,8H,2,7H2,1H3,(H,19,21,22)
PDB
MMDB

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.26E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))
BDBM42967
PNG
(2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(5-ethyl-1...)
Show SMILES CCc1nnc(NC(=O)CSc2ncnc3c4ccccc4oc23)s1
Show InChI InChI=1S/C16H13N5O2S2/c1-2-12-20-21-16(25-12)19-11(22)7-24-15-14-13(17-8-18-15)9-5-3-4-6-10(9)23-14/h3-6,8H,2,7H2,1H3,(H,19,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.83E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair