BindingDB logo
myBDB logout

BDBM43475 4-amino-2-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]isoindole-1,3-dione::4-amino-2-[(E)-3-(3-bromophenyl)acryloyl]isoindoline-1,3-quinone::4-amino-2-[(E)-3-(3-bromophenyl)prop-2-enoyl]isoindole-1,3-dione::4-azanyl-2-[(E)-3-(3-bromophenyl)prop-2-enoyl]isoindole-1,3-dione::MLS000516708::SMR000342877::cid_5854374

SMILES: Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(Br)c3)C(=O)c12

InChI Key: InChIKey=DGFNGIZXCZHTQK-BQYQJAHWSA-N

Data: 3 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 = 43475   
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
MDM2-MDMX


(Homo sapiens (Human))
BDBM43475
PNG
(4-amino-2-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]...)
Show SMILES Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(Br)c3)C(=O)c12
Show InChI InChI=1S/C17H11BrN2O3/c18-11-4-1-3-10(9-11)7-8-14(21)20-16(22)12-5-2-6-13(19)15(12)17(20)23/h1-9H,19H2/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.82E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM43475
PNG
(4-amino-2-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]...)
Show SMILES Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(Br)c3)C(=O)c12
Show InChI InChI=1S/C17H11BrN2O3/c18-11-4-1-3-10(9-11)7-8-14(21)20-16(22)12-5-2-6-13(19)15(12)17(20)23/h1-9H,19H2/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.81E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2G73C3D
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM43475
PNG
(4-amino-2-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]...)
Show SMILES Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(Br)c3)C(=O)c12
Show InChI InChI=1S/C17H11BrN2O3/c18-11-4-1-3-10(9-11)7-8-14(21)20-16(22)12-5-2-6-13(19)15(12)17(20)23/h1-9H,19H2/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.65E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KW5DG0
More data for this
Ligand-Target Pair