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BDBM59833 2-(8-chloro-4-keto-2-thioxo-1H-benzofuro[3,2-d]pyrimidin-3-yl)acetic acid ethyl ester::2-(8-chloro-4-oxo-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-3-yl)acetic acid ethyl ester::MLS000519963::SMR000130378::cid_9551120::ethyl 2-(8-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-3-yl)ethanoate::ethyl 2-(8-chloro-4-oxo-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate

SMILES: CCOC(=O)Cn1c(=S)[nH]c2c3cc(Cl)ccc3oc2c1=O

InChI Key: InChIKey=GATBOVHGZLJLBJ-UHFFFAOYSA-N

Data: 3 IC50

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 = 59833   
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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM59833
PNG
(2-(8-chloro-4-keto-2-thioxo-1H-benzofuro[3,2-d]pyr...)
Show SMILES CCOC(=O)Cn1c(=S)[nH]c2c3cc(Cl)ccc3oc2c1=O
Show InChI InChI=1S/C14H11ClN2O4S/c1-2-20-10(18)6-17-13(19)12-11(16-14(17)22)8-5-7(15)3-4-9(8)21-12/h3-5H,2,6H2,1H3,(H,16,22)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.95E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
nuclear receptor corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM59833
PNG
(2-(8-chloro-4-keto-2-thioxo-1H-benzofuro[3,2-d]pyr...)
Show SMILES CCOC(=O)Cn1c(=S)[nH]c2c3cc(Cl)ccc3oc2c1=O
Show InChI InChI=1S/C14H11ClN2O4S/c1-2-20-10(18)6-17-13(19)12-11(16-14(17)22)8-5-7(15)3-4-9(8)21-12/h3-5H,2,6H2,1H3,(H,16,22)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM59833
PNG
(2-(8-chloro-4-keto-2-thioxo-1H-benzofuro[3,2-d]pyr...)
Show SMILES CCOC(=O)Cn1c(=S)[nH]c2c3cc(Cl)ccc3oc2c1=O
Show InChI InChI=1S/C14H11ClN2O4S/c1-2-20-10(18)6-17-13(19)12-11(16-14(17)22)8-5-7(15)3-4-9(8)21-12/h3-5H,2,6H2,1H3,(H,16,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair