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BDBM114202 2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indolecarboxylic acid ethyl ester::3-benzyl-4,5-diketo-2-methyl-benz[e]indole-1-carboxylic acid ethyl ester::MLS002702495::SMR001566056::cid_406008::ethyl 2-methyl-4,5-bis(oxidanylidene)-3-(phenylmethyl)benzo[e]indole-1-carboxylate::ethyl 3-benzyl-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate

SMILES: CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O

InChI Key: InChIKey=FPJGLEYOEDMWDB-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 = 114202   
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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3


(Homo sapiens (Human))
BDBM114202
PNG
(2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indo...)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C23H19NO4/c1-3-28-23(27)18-14(2)24(13-15-9-5-4-6-10-15)20-19(18)16-11-7-8-12-17(16)21(25)22(20)26/h4-12H,3,13H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.23E+5n/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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM114202
PNG
(2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indo...)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C23H19NO4/c1-3-28-23(27)18-14(2)24(13-15-9-5-4-6-10-15)20-19(18)16-11-7-8-12-17(16)21(25)22(20)26/h4-12H,3,13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.78E+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 (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))
BDBM114202
PNG
(2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indo...)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C23H19NO4/c1-3-28-23(27)18-14(2)24(13-15-9-5-4-6-10-15)20-19(18)16-11-7-8-12-17(16)21(25)22(20)26/h4-12H,3,13H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.83E+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: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair