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BDBM50085415 3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-dihydro-indol-2-one::3-(3,5-dibromo-4-hydroxybenzylidene)-5-iodoindolin-2-one::3-[1-(3,5-Dibromo-4-hydroxy-phenyl)-meth-(Z)-ylidene]-5-iodo-1,3-dihydro-indol-2-one::CHEMBL72365::G6416 (GW5074)::GW-5074

SMILES: Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br

InChI Key: InChIKey=LMXYVLFTZRPNRV-KMKOMSMNSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50085415   
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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n/an/a 4.60E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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n/an/a 230n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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n/an/a 11n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin)


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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n/an/a 4.40n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of cRAF1 (unknown origin) at 10 uM


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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n/an/a 5.40n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF V599E mutant (unknown origin)


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
TGM2/ cRaf Kinase


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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n/an/a 1.50E+4n/an/an/an/an/a37



Duke University Medical Center



Assay Description
In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase...


Chem Biol 15: 969-78 (2008)


Article DOI: 10.1016/j.chembiol.2008.07.015
BindingDB Entry DOI: 10.7270/Q2DR2SZR
More data for this
Ligand-Target Pair