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PubMed code 21341678

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl1


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens)
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DDR2


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339615
PNG
((2S)-7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-y...)
Show SMILES CN(C)Cc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N4O3/c1-37(2)17-18-11-23(30(31,32)33)15-24(12-18)35-29(39)21-6-3-19-7-8-25(14-22(19)13-21)40-26-9-10-34-27(16-26)36-28(38)20-4-5-20/h7-12,14-16,20-21H,3-6,13,17H2,1-2H3,(H,35,39)(H,34,36,38)/t21-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type B-Raf


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339613
PNG
((2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]...)
Show SMILES NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)/t19-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339616
PNG
(7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-yl}oxy...)
Show SMILES CC(C)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)36-17-19-11-24(31(32,33)34)15-25(12-19)37-30(40)22-6-3-20-7-8-26(14-23(20)13-22)41-27-9-10-35-28(16-27)38-29(39)21-4-5-21/h7-12,14-16,18,21-22,36H,3-6,13,17H2,1-2H3,(H,37,40)(H,35,38,39)
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n/an/a 4.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type B-Raf


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 6n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339614
PNG
((2R)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]...)
Show SMILES NCc1cc(NC(=O)[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)/t19-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339611
PNG
((2S)-7-{[2-(acetylamino)pyridin-4-yl]oxy}-N-[3-(am...)
Show SMILES CC(=O)Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)C(=O)Nc2cc(CN)cc(c2)C(F)(F)F)ccn1
Show InChI InChI=1S/C26H25F3N4O3/c1-15(34)32-24-13-23(6-7-31-24)36-22-5-4-17-2-3-18(10-19(17)11-22)25(35)33-21-9-16(14-30)8-20(12-21)26(27,28)29/h4-9,11-13,18H,2-3,10,14,30H2,1H3,(H,33,35)(H,31,32,34)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339612
PNG
(CHEMBL1688868 | N-[3-(Aminomethyl)-5-(trifluoromet...)
Show SMILES NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)
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n/an/a 6.20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens)
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DDR2


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339623
PNG
(4-[3-(3-{[4-Chloro-3-(trifluoromethyl)phenyl]amino...)
Show SMILES CNC(=O)c1cc(Oc2cccc(CCC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)ccn1
Show InChI InChI=1S/C23H19ClF3N3O3/c1-28-22(32)20-13-17(9-10-29-20)33-16-4-2-3-14(11-16)5-8-21(31)30-15-6-7-19(24)18(12-15)23(25,26)27/h2-4,6-7,9-13H,5,8H2,1H3,(H,28,32)(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339622
PNG
(4-[4-(3-{[4-Chloro-3-(trifluoromethyl)phenyl]amino...)
Show SMILES CNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C23H19ClF3N3O3/c1-28-22(32)20-13-17(10-11-29-20)33-16-6-2-14(3-7-16)4-9-21(31)30-15-5-8-19(24)18(12-15)23(25,26)27/h2-3,5-8,10-13H,4,9H2,1H3,(H,28,32)(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EPHA2


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339610
PNG
(4-{[7-({[3-(Aminomethyl)-5-(trifluoromethyl)phenyl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3CCC(Cc3c2)C(=O)Nc2cc(CN)cc(c2)C(F)(F)F)ccn1
Show InChI InChI=1S/C26H25F3N4O3/c1-31-25(35)23-13-22(6-7-32-23)36-21-5-4-16-2-3-17(10-18(16)11-21)24(34)33-20-9-15(14-30)8-19(12-20)26(27,28)29/h4-9,11-13,17H,2-3,10,14,30H2,1H3,(H,31,35)(H,33,34)
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n/an/a 11n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339625
PNG
(4-{[7-({[4-(Aminomethyl)-3-(trifluoromethyl)phenyl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3CCC(Cc3c2)C(=O)Nc2ccc(CN)c(c2)C(F)(F)F)ccn1
Show InChI InChI=1S/C26H25F3N4O3/c1-31-25(35)23-13-21(8-9-32-23)36-20-7-5-15-2-3-16(10-18(15)11-20)24(34)33-19-6-4-17(14-30)22(12-19)26(27,28)29/h4-9,11-13,16H,2-3,10,14,30H2,1H3,(H,31,35)(H,33,34)
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n/an/a 16n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EPHA2


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339624
PNG
(CHEMBL1688864 | rac-4-{[7-({[4-Chloro-3-(trifluoro...)
Show SMILES CNC(=O)c1cc(Oc2ccc3CCC(Cc3c2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1
Show InChI InChI=1S/C25H21ClF3N3O3/c1-30-24(34)22-13-19(8-9-31-22)35-18-6-4-14-2-3-15(10-16(14)11-18)23(33)32-17-5-7-21(26)20(12-17)25(27,28)29/h4-9,11-13,15H,2-3,10H2,1H3,(H,30,34)(H,32,33)
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n/an/a 28n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339621
PNG
(3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-...)
Show SMILES CNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C28H27F3N4O3/c1-32-15-16-10-19(12-20(11-16)28(29,30)31)27(37)34-21-4-2-17-3-5-22(14-18(17)13-21)38-24-8-9-33-26-23(24)6-7-25(36)35-26/h3,5,8-12,14,21,32H,2,4,6-7,13,15H2,1H3,(H,34,37)(H,33,35,36)/t21-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339619
PNG
(CHEMBL1688874 | N-[(2R)-7-({2-[(cyclopropylcarbony...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1
Show InChI InChI=1S/C30H31F3N4O3/c1-37(2)17-18-11-22(13-23(12-18)30(31,32)33)29(39)35-24-7-5-19-6-8-25(15-21(19)14-24)40-26-9-10-34-27(16-26)36-28(38)20-3-4-20/h6,8-13,15-16,20,24H,3-5,7,14,17H2,1-2H3,(H,35,39)(H,34,36,38)/t24-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339618
PNG
((2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)...)
Show SMILES CC(C)(N)c1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-13-20(29(30,31)32)15-21(14-19)35-27(38)17-4-3-16-5-6-22(12-18(16)11-17)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h5-6,9-10,12-15,17H,3-4,7-8,11,33H2,1-2H3,(H,35,38)(H,34,36,37)/t17-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339617
PNG
((2S)-N-[3-[(Isopropylamino)methyl]-5-(trifluoromet...)
Show SMILES CC(C)NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N4O3/c1-17(2)35-16-18-11-22(30(31,32)33)15-23(12-18)36-29(39)20-4-3-19-5-6-24(14-21(19)13-20)40-26-9-10-34-28-25(26)7-8-27(38)37-28/h5-6,9-12,14-15,17,20,35H,3-4,7-8,13,16H2,1-2H3,(H,36,39)(H,34,37,38)/t20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339615
PNG
((2S)-7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-y...)
Show SMILES CN(C)Cc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N4O3/c1-37(2)17-18-11-23(30(31,32)33)15-24(12-18)35-29(39)21-6-3-19-7-8-25(14-22(19)13-21)40-26-9-10-34-27(16-26)36-28(38)20-4-5-20/h7-12,14-16,20-21H,3-6,13,17H2,1-2H3,(H,35,39)(H,34,36,38)/t21-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339613
PNG
((2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]...)
Show SMILES NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)/t19-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339612
PNG
(CHEMBL1688868 | N-[3-(Aminomethyl)-5-(trifluoromet...)
Show SMILES NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)
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n/an/a 150n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339611
PNG
((2S)-7-{[2-(acetylamino)pyridin-4-yl]oxy}-N-[3-(am...)
Show SMILES CC(=O)Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)C(=O)Nc2cc(CN)cc(c2)C(F)(F)F)ccn1
Show InChI InChI=1S/C26H25F3N4O3/c1-15(34)32-24-13-23(6-7-31-24)36-22-5-4-17-2-3-18(10-19(17)11-22)25(35)33-21-9-16(14-30)8-20(12-21)26(27,28)29/h4-9,11-13,18H,2-3,10,14,30H2,1H3,(H,33,35)(H,31,32,34)/t18-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339616
PNG
(7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-yl}oxy...)
Show SMILES CC(C)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)36-17-19-11-24(31(32,33)34)15-25(12-19)37-30(40)22-6-3-20-7-8-26(14-23(20)13-22)41-27-9-10-35-28(16-27)38-29(39)21-4-5-21/h7-12,14-16,18,21-22,36H,3-6,13,17H2,1-2H3,(H,37,40)(H,35,38,39)
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n/an/a 190n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 610n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339614
PNG
((2R)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]...)
Show SMILES NCc1cc(NC(=O)[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)/t19-/m1/s1
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n/an/a 780n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339620
PNG
(CHEMBL1688875 | N-[(2S)-7-({2-[(Cyclopropylcarbony...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@H]1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1
Show InChI InChI=1S/C30H31F3N4O3/c1-37(2)17-18-11-22(13-23(12-18)30(31,32)33)29(39)35-24-7-5-19-6-8-25(15-21(19)14-24)40-26-9-10-34-27(16-26)36-28(38)20-3-4-20/h6,8-13,15-16,20,24H,3-5,7,14,17H2,1-2H3,(H,35,39)(H,34,36,38)/t24-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339610
PNG
(4-{[7-({[3-(Aminomethyl)-5-(trifluoromethyl)phenyl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3CCC(Cc3c2)C(=O)Nc2cc(CN)cc(c2)C(F)(F)F)ccn1
Show InChI InChI=1S/C26H25F3N4O3/c1-31-25(35)23-13-22(6-7-32-23)36-21-5-4-16-2-3-17(10-18(16)11-21)24(34)33-20-9-15(14-30)8-19(12-20)26(27,28)29/h4-9,11-13,17H,2-3,10,14,30H2,1H3,(H,31,35)(H,33,34)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339624
PNG
(CHEMBL1688864 | rac-4-{[7-({[4-Chloro-3-(trifluoro...)
Show SMILES CNC(=O)c1cc(Oc2ccc3CCC(Cc3c2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1
Show InChI InChI=1S/C25H21ClF3N3O3/c1-30-24(34)22-13-19(8-9-31-22)35-18-6-4-14-2-3-15(10-16(14)11-18)23(33)32-17-5-7-21(26)20(12-17)25(27,28)29/h4-9,11-13,15H,2-3,10H2,1H3,(H,30,34)(H,32,33)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339625
PNG
(4-{[7-({[4-(Aminomethyl)-3-(trifluoromethyl)phenyl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3CCC(Cc3c2)C(=O)Nc2ccc(CN)c(c2)C(F)(F)F)ccn1
Show InChI InChI=1S/C26H25F3N4O3/c1-31-25(35)23-13-21(8-9-32-23)36-20-7-5-15-2-3-16(10-18(15)11-20)24(34)33-19-6-4-17(14-30)22(12-19)26(27,28)29/h4-9,11-13,16H,2-3,10,14,30H2,1H3,(H,31,35)(H,33,34)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339623
PNG
(4-[3-(3-{[4-Chloro-3-(trifluoromethyl)phenyl]amino...)
Show SMILES CNC(=O)c1cc(Oc2cccc(CCC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)ccn1
Show InChI InChI=1S/C23H19ClF3N3O3/c1-28-22(32)20-13-17(9-10-29-20)33-16-4-2-3-14(11-16)5-8-21(31)30-15-6-7-19(24)18(12-15)23(25,26)27/h2-4,6-7,9-13H,5,8H2,1H3,(H,28,32)(H,30,31)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50339622
PNG
(4-[4-(3-{[4-Chloro-3-(trifluoromethyl)phenyl]amino...)
Show SMILES CNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C23H19ClF3N3O3/c1-28-22(32)20-13-17(10-11-29-20)33-16-6-2-14(3-7-16)4-9-21(31)30-15-5-8-19(24)18(12-15)23(25,26)27/h2-3,5-8,10-13H,4,9H2,1H3,(H,28,32)(H,30,31)
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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidin...


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%