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BDBM66635 MLS000737122::SMR000528383::[4-[(2Z)-2-(4-amino-2-methylsulfanyl-6-oxopyrimidin-5-ylidene)hydrazinyl]phenyl]arsonic acid::[4-[(2Z)-2-(4-azanyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-5-ylidene)hydrazinyl]phenyl]arsonic acid::[4-[(2Z)-2-[4-amino-2-(methylthio)-6-oxo-5-pyrimidinylidene]hydrazinyl]phenyl]arsonic acid::[4-[(N'Z)-N'-[4-amino-6-keto-2-(methylthio)pyrimidin-5-ylidene]hydrazino]phenyl]arsonic acid::cid_5992379

SMILES: CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1

InChI Key: InChIKey=UDSHJJLSLFLOEZ-WUKNDPDISA-N

Data: 2 IC50  1 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 = 66635   
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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66635
PNG
(MLS000737122 | SMR000528383 | [4-[(2Z)-2-(4-amino-...)
Show SMILES CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1 |w:8.8|
Show InChI InChI=1S/C11H12AsN5O4S/c1-22-11-14-9(13)8(10(18)15-11)17-16-7-4-2-6(3-5-7)12(19,20)21/h2-5H,1H3,(H2,19,20,21)(H3,13,14,15,18)/b17-16+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM66635
PNG
(MLS000737122 | SMR000528383 | [4-[(2Z)-2-(4-amino-...)
Show SMILES CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1 |w:8.8|
Show InChI InChI=1S/C11H12AsN5O4S/c1-22-11-14-9(13)8(10(18)15-11)17-16-7-4-2-6(3-5-7)12(19,20)21/h2-5H,1H3,(H2,19,20,21)(H3,13,14,15,18)/b17-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.91E+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/Q2639NCQ
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM66635
PNG
(MLS000737122 | SMR000528383 | [4-[(2Z)-2-(4-amino-...)
Show SMILES CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1 |w:8.8|
Show InChI InChI=1S/C11H12AsN5O4S/c1-22-11-14-9(13)8(10(18)15-11)17-16-7-4-2-6(3-5-7)12(19,20)21/h2-5H,1H3,(H2,19,20,21)(H3,13,14,15,18)/b17-16+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12307
BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair