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BDBM65806 4,7-dimethyl-2-(4-methylphenyl)-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione::4,7-dimethyl-2-(p-tolyl)-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindole-1,3-quinone::MLS-0435575.0001::cid_2844144

SMILES: Cc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1

InChI Key: InChIKey=JGLHFPLAGGZEJU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 65806   
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
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65806
PNG
(4,7-dimethyl-2-(4-methylphenyl)-3a,7a-dihydro-octa...)
Show SMILES Cc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1
Show InChI InChI=1S/C17H17NO3/c1-10-4-6-11(7-5-10)18-14(19)12-13(15(18)20)17(3)9-8-16(12,2)21-17/h4-9,19-20H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a>5.68E+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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1016/j.bioorg.2014.07.011
BindingDB Entry DOI: 10.7270/Q2668BMS
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65806
PNG
(4,7-dimethyl-2-(4-methylphenyl)-3a,7a-dihydro-octa...)
Show SMILES Cc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1
Show InChI InChI=1S/C17H17NO3/c1-10-4-6-11(7-5-10)18-14(19)12-13(15(18)20)17(3)9-8-16(12,2)21-17/h4-9,19-20H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 1.15E+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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1002/cbic.201300770
BindingDB Entry DOI: 10.7270/Q21V5CDC
More data for this
Ligand-Target Pair