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BDBM75790 3-[(4-hydroxy-3-methoxybenzylidene)amino]-2-thioxo-1,3-thiazolidin-4-one::3-[[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-sulfanylidene-1,3-thiazolidin-4-one::3-[[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-2-sulfanylidene-4-thiazolidinone::3-[[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-sulfanylidene-1,3-thiazolidin-4-one::3-[[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-thioxo-thiazolidin-4-one::MLS000530440::SMR000135418::cid_5342649

SMILES: COc1cc(C=Nn2c(O)csc2=S)ccc1O

InChI Key: InChIKey=RKMVPQYFYGMMQC-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 75790   
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
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM75790
PNG
(3-[(4-hydroxy-3-methoxybenzylidene)amino]-2-thioxo...)
Show SMILES COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
Show InChI InChI=1S/C11H10N2O3S2/c1-16-9-4-7(2-3-8(9)14)5-12-13-10(15)6-18-11(13)17/h2-6,14-15H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.22E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75790
PNG
(3-[(4-hydroxy-3-methoxybenzylidene)amino]-2-thioxo...)
Show SMILES COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
Show InChI InChI=1S/C11H10N2O3S2/c1-16-9-4-7(2-3-8(9)14)5-12-13-10(15)6-18-11(13)17/h2-6,14-15H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.13E+4n/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, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75790
PNG
(3-[(4-hydroxy-3-methoxybenzylidene)amino]-2-thioxo...)
Show SMILES COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
Show InChI InChI=1S/C11H10N2O3S2/c1-16-9-4-7(2-3-8(9)14)5-12-13-10(15)6-18-11(13)17/h2-6,14-15H,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.20E+3n/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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM75790
PNG
(3-[(4-hydroxy-3-methoxybenzylidene)amino]-2-thioxo...)
Show SMILES COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
Show InChI InChI=1S/C11H10N2O3S2/c1-16-9-4-7(2-3-8(9)14)5-12-13-10(15)6-18-11(13)17/h2-6,14-15H,1H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75790
PNG
(3-[(4-hydroxy-3-methoxybenzylidene)amino]-2-thioxo...)
Show SMILES COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
Show InChI InChI=1S/C11H10N2O3S2/c1-16-9-4-7(2-3-8(9)14)5-12-13-10(15)6-18-11(13)17/h2-6,14-15H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair