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BDBM42613 3-allyl-2-thioxo-1H-quinazolin-4-one::3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one::MLS000071463::SMR000059240::cid_657947

SMILES: C=CCn1c(=S)[nH]c2ccccc2c1=O

InChI Key: InChIKey=SJUBWTIKDYWHEB-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 = 42613   
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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42613
PNG
(3-allyl-2-thioxo-1H-quinazolin-4-one | 3-prop-2-en...)
Show SMILES C=CCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C11H10N2OS/c1-2-7-13-10(14)8-5-3-4-6-9(8)12-11(13)15/h2-6H,1,7H2,(H,12,15)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>3.10E+4n/an/an/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM42613
PNG
(3-allyl-2-thioxo-1H-quinazolin-4-one | 3-prop-2-en...)
Show SMILES C=CCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C11H10N2OS/c1-2-7-13-10(14)8-5-3-4-6-9(8)12-11(13)15/h2-6H,1,7H2,(H,12,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM42613
PNG
(3-allyl-2-thioxo-1H-quinazolin-4-one | 3-prop-2-en...)
Show SMILES C=CCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C11H10N2OS/c1-2-7-13-10(14)8-5-3-4-6-9(8)12-11(13)15/h2-6H,1,7H2,(H,12,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 3.15E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WQ028B
More data for this
Ligand-Target Pair