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BDBM50267255 4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]-6-iodo-4Hisoquinoline-1,3-dione::CHEMBL504547

SMILES: Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1

InChI Key: InChIKey=CUISPPCDYZFGCY-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 50267255   
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
Insulin receptor


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of AKT (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 2.44E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Histidine-tagged Rb


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 610n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of retinoblastoma susceptibility gene product phosphorylation in human MCF7 cells after 24 hrs


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LYN (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 2.59E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKK2 (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Braf (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a>4.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Tpl2 (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair