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BDBM83506 (5Z)-5-[[2-(3-isopropoxypropylamino)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-propyl-2-thioxo-thiazolidin-4-one::(5Z)-5-[[9-methyl-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one::(5Z)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)-3-pyrido[1,2-a]pyrimidinyl]methylidene]-3-propyl-2-sulfanylidene-4-thiazolidinone::(5Z)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one::2-(3-Isopropoxy-propylamino)-9-methyl-3-[4-oxo-3-propyl-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-pyrid o[1,2-a]pyrimidin-4-one::MLS000556879::SMR000147996::cid_1880983

SMILES: CCCN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O

InChI Key: InChIKey=UMAOLLLRFPHFBM-LGMDPLHJSA-N

Data: 2 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 4 hits for monomerid = 83506   
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
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83506
PNG
((5Z)-5-[[2-(3-isopropoxypropylamino)-4-keto-9-meth...)
Show SMILES CCCN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C22H28N4O3S2/c1-5-10-26-21(28)17(31-22(26)30)13-16-18(23-9-7-12-29-14(2)3)24-19-15(4)8-6-11-25(19)20(16)27/h6,8,11,13-14,23H,5,7,9-10,12H2,1-4H3/b17-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.60E+4n/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/Q2Z31X54
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM83506
PNG
((5Z)-5-[[2-(3-isopropoxypropylamino)-4-keto-9-meth...)
Show SMILES CCCN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C22H28N4O3S2/c1-5-10-26-21(28)17(31-22(26)30)13-16-18(23-9-7-12-29-14(2)3)24-19-15(4)8-6-11-25(19)20(16)27/h6,8,11,13-14,23H,5,7,9-10,12H2,1-4H3/b17-13-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PCBioAssay
n/an/a 90n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM83506
PNG
((5Z)-5-[[2-(3-isopropoxypropylamino)-4-keto-9-meth...)
Show SMILES CCCN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C22H28N4O3S2/c1-5-10-26-21(28)17(31-22(26)30)13-16-18(23-9-7-12-29-14(2)3)24-19-15(4)8-6-11-25(19)20(16)27/h6,8,11,13-14,23H,5,7,9-10,12H2,1-4H3/b17-13-
PDB

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n/an/a 148n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83506
PNG
((5Z)-5-[[2-(3-isopropoxypropylamino)-4-keto-9-meth...)
Show SMILES CCCN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C22H28N4O3S2/c1-5-10-26-21(28)17(31-22(26)30)13-16-18(23-9-7-12-29-14(2)3)24-19-15(4)8-6-11-25(19)20(16)27/h6,8,11,13-14,23H,5,7,9-10,12H2,1-4H3/b17-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.42E+4n/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/Q2TB15DB
More data for this
Ligand-Target Pair