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BDBM32108 6-keto-7,8,9,10-tetrahydrophenothiazine-3-carboxylic acid methyl ester::6-oxo-7,8,9,10-tetrahydrophenothiazine-3-carboxylic acid methyl ester::MLS000100349::SMR000082651::cid_1258835::methyl 4-oxo-2,3,4,10-tetrahydro-1H-phenothiazine-7-carboxylate::methyl 6-oxidanylidene-7,8,9,10-tetrahydrophenothiazine-3-carboxylate::methyl 6-oxo-7,8,9,10-tetrahydrophenothiazine-3-carboxylate

SMILES: COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1

InChI Key: InChIKey=YDPBCQQIPGCGPO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 32108   
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
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM32108
PNG
(6-keto-7,8,9,10-tetrahydrophenothiazine-3-carboxyl...)
Show SMILES COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|
Show InChI InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,13H,2-4H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.09E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM32108
PNG
(6-keto-7,8,9,10-tetrahydrophenothiazine-3-carboxyl...)
Show SMILES COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|
Show InChI InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,13H,2-4H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.22E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM32108
PNG
(6-keto-7,8,9,10-tetrahydrophenothiazine-3-carboxyl...)
Show SMILES COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|
Show InChI InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,13H,2-4H2,1H3
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.33E+4n/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: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
defective in Germ Line Development family member (gld-1)


(Caenorhabditis elegans)
BDBM32108
PNG
(6-keto-7,8,9,10-tetrahydrophenothiazine-3-carboxyl...)
Show SMILES COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|
Show InChI InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,13H,2-4H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.12E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QC01ZW
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM32108
PNG
(6-keto-7,8,9,10-tetrahydrophenothiazine-3-carboxyl...)
Show SMILES COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|
Show InChI InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,13H,2-4H2,1H3
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.79E+4n/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: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM32108
PNG
(6-keto-7,8,9,10-tetrahydrophenothiazine-3-carboxyl...)
Show SMILES COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|
Show InChI InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,13H,2-4H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.54E+4n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair