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BDBM34191 (2-methoxyphenyl)-(3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)methanone::(2-methoxyphenyl)-[3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone::MLS000111412::SMR000107336::cid_2906776

SMILES: COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1

InChI Key: InChIKey=SVRHZTFGWDYKCB-UHFFFAOYSA-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 = 34191   
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
Bfl-1


(Mus musculus (Mouse))
BDBM34191
PNG
((2-methoxyphenyl)-(3-methylsulfanyl-6,7-dihydro-[1...)
Show SMILES COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1
Show InChI InChI=1S/C19H16N4O3S/c1-25-14-10-6-4-8-12(14)16(24)18-20-13-9-5-3-7-11(13)15-17(26-18)21-19(27-2)23-22-15/h3-10,18,20H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
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PCBioAssay
n/an/a 4.79E+3n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves c...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2N014W6
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM34191
PNG
((2-methoxyphenyl)-(3-methylsulfanyl-6,7-dihydro-[1...)
Show SMILES COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1
Show InChI InChI=1S/C19H16N4O3S/c1-25-14-10-6-4-8-12(14)16(24)18-20-13-9-5-3-7-11(13)15-17(26-18)21-19(27-2)23-22-15/h3-10,18,20H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM34191
PNG
((2-methoxyphenyl)-(3-methylsulfanyl-6,7-dihydro-[1...)
Show SMILES COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1
Show InChI InChI=1S/C19H16N4O3S/c1-25-14-10-6-4-8-12(14)16(24)18-20-13-9-5-3-7-11(13)15-17(26-18)21-19(27-2)23-22-15/h3-10,18,20H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 4.60E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K072NW
More data for this
Ligand-Target Pair