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BDBM71037 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione::2-methyl-3-(morpholine-4-carbonyl)benzo[f]benzofuran-4,9-quinone::2-methyl-3-[4-morpholinyl(oxo)methyl]benzo[f]benzofuran-4,9-dione::2-methyl-3-morpholin-4-ylcarbonyl-benzo[f][1]benzofuran-4,9-dione::MLS000419486::SMR000320221::cid_1382504

SMILES: Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O

InChI Key: InChIKey=OHDSQTULPMWOPD-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 = 71037   
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
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71037
PNG
(2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzo...)
Show SMILES Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.80E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26H4FW6
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM71037
PNG
(2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzo...)
Show SMILES Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 1.79E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12356
BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71037
PNG
(2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzo...)
Show SMILES Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
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n/an/a 6.43E+4n/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
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM71037
PNG
(2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzo...)
Show SMILES Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
PDB
MMDB

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UniChem
Article
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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00536
BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM71037
PNG
(2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzo...)
Show SMILES Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
PDB
MMDB

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KEGG

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antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 1.39E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00607
BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair