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BDBM71166 4-[Acetyl-(3-morpholin-4-yl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-amino]-benzoic acid::4-[acetyl-(1,4-diketo-3-morpholino-2-naphthyl)amino]benzoic acid::4-[acetyl-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoic acid::4-[acetyl-[3-(4-morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid::4-[ethanoyl-[3-morpholin-4-yl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]benzoic acid::MLS000777527::SMR000413921::cid_2833927

SMILES: CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=LPMUIPFHMOGKEV-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 = 71166   
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
Caspase-9


(Homo sapiens (Human))
BDBM71166
PNG
(4-[Acetyl-(3-morpholin-4-yl-1,4-dioxo-1,4-dihydro-...)
Show SMILES CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H20N2O6/c1-14(26)25(16-8-6-15(7-9-16)23(29)30)20-19(24-10-12-31-13-11-24)21(27)17-4-2-3-5-18(17)22(20)28/h2-9H,10-13H2,1H3,(H,29,30)
PDB
MMDB

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PCBioAssay
n/an/a 1.27E+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
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM71166
PNG
(4-[Acetyl-(3-morpholin-4-yl-1,4-dioxo-1,4-dihydro-...)
Show SMILES CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H20N2O6/c1-14(26)25(16-8-6-15(7-9-16)23(29)30)20-19(24-10-12-31-13-11-24)21(27)17-4-2-3-5-18(17)22(20)28/h2-9H,10-13H2,1H3,(H,29,30)
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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))
BDBM71166
PNG
(4-[Acetyl-(3-morpholin-4-yl-1,4-dioxo-1,4-dihydro-...)
Show SMILES CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H20N2O6/c1-14(26)25(16-8-6-15(7-9-16)23(29)30)20-19(24-10-12-31-13-11-24)21(27)17-4-2-3-5-18(17)22(20)28/h2-9H,10-13H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 2.62E+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