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Compile Data Set for Download or QSAR

Found 720 hits of kd for UniProtKB: P15056   
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
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25391
PNG
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
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n/an/an/a 0.300n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26041
PNG
(2-chloro-5-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-...)
Show SMILES Oc1cc(ccc1Cl)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)
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n/an/an/a 2.40n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26042
PNG
(imidazole-based compound, 3 | {1-[(4-{4-[(1E)-1-(h...)
Show SMILES CC(COc1nccc(n1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1)N(C)C
Show InChI InChI=1S/C26H27N7O2/c1-16(33(2)3)15-35-26-28-13-10-22(29-26)25-30-23(17-8-11-27-12-9-17)24(31-25)19-4-6-20-18(14-19)5-7-21(20)32-34/h4,6,8-14,16,21H,5,7,15H2,1-3H3,(H,30,31)
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n/an/an/a 0.5n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26043
PNG
(2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES CC(C)(CN)c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C21H23N5O/c1-21(2,12-22)20-24-18(13-7-9-23-10-8-13)19(25-20)15-3-5-16-14(11-15)4-6-17(16)26-27/h3,5,7-11,17H,4,6,12,22H2,1-2H3,(H,24,25)
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n/an/an/a 4.90n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26044
PNG
((1E)-5-[2-(piperidin-4-yl)-5-(pyridin-4-yl)-1H-imi...)
Show SMILES O=NC1CCc2cc(ccc12)-c1[nH]c(nc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C22H23N5O/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15/h1,3,5-6,9-10,13,15,19,24H,2,4,7-8,11-12H2,(H,25,26)
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n/an/an/a 1.70n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26045
PNG
((1E)-5-{2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(py...)
Show SMILES COCCN1CCC(CC1)c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C25H29N5O2/c1-32-15-14-30-12-8-18(9-13-30)25-27-23(17-6-10-26-11-7-17)24(28-25)20-2-4-21-19(16-20)3-5-22(21)29-31/h2,4,6-7,10-11,16,18,22H,3,5,8-9,12-15H2,1H3,(H,27,28)
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n/an/an/a 6.30n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26046
PNG
((1E)-5-[2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-...)
Show SMILES O=NC1CCc2cc(ccc12)-c1[nH]c(CN2CCOCC2)nc1-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-26-19-4-2-16-13-17(1-3-18(16)19)22-21(15-5-7-23-8-6-15)24-20(25-22)14-27-9-11-29-12-10-27/h1,3,5-8,13,19H,2,4,9-12,14H2,(H,24,25)
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n/an/an/a 15.8n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26047
PNG
(4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl...)
Show SMILES O=NC1CCc2cc(ccc12)-c1[nH]c(nc1-c1ccncc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C24H26N6O3/c31-24(26-9-10-30-11-13-33-14-12-30)23-27-21(16-5-7-25-8-6-16)22(28-23)18-1-3-19-17(15-18)2-4-20(19)29-32/h1,3,5-8,15,20H,2,4,9-14H2,(H,26,31)(H,27,28)
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n/an/an/a 1.40n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26048
PNG
(N-{3-[(dimethylamino)methyl]phenyl}-4-[(1E)-1-(hyd...)
Show SMILES CN(C)Cc1cccc(NC(=O)c2nc(c([nH]2)-c2ccc3C(CCc3c2)N=O)-c2ccncc2)c1
Show InChI InChI=1S/C27H26N6O2/c1-33(2)16-17-4-3-5-21(14-17)29-27(34)26-30-24(18-10-12-28-13-11-18)25(31-26)20-6-8-22-19(15-20)7-9-23(22)32-35/h3-6,8,10-15,23H,7,9,16H2,1-2H3,(H,29,34)(H,30,31)
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n/an/an/a 1.30n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26049
PNG
([2-(4-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-ind...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C28H27N3O3/c1-31(2)15-16-33-23-7-3-19(4-8-23)27-18-25(28(34-27)20-11-13-29-14-12-20)22-5-9-24-21(17-22)6-10-26(24)30-32/h3-5,7-9,11-14,17-18,26H,6,10,15-16H2,1-2H3
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n/an/an/a 0.5n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26050
PNG
([2-(4-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-ind...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C28H28N4O2/c1-32(2)15-16-34-23-7-3-19(4-8-23)27-18-25(28(30-27)20-11-13-29-14-12-20)22-5-9-24-21(17-22)6-10-26(24)31-33/h3-5,7-9,11-14,17-18,26,30H,6,10,15-16H2,1-2H3
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n/an/an/a 0.700n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26051
PNG
([2-(4-{5-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-ind...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(c(o1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C28H27N3O3/c1-31(2)15-16-33-23-7-3-20(4-8-23)27-18-25(19-11-13-29-14-12-19)28(34-27)22-5-9-24-21(17-22)6-10-26(24)30-32/h3-5,7-9,11-14,17-18,26H,6,10,15-16H2,1-2H3
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n/an/an/a 0.900n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26052
PNG
([2-(4-{5-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-ind...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C28H28N4O2/c1-32(2)15-16-34-23-7-3-20(4-8-23)27-18-25(19-11-13-29-14-12-19)28(30-27)22-5-9-24-21(17-22)6-10-26(24)31-33/h3-5,7-9,11-14,17-18,26,30H,6,10,15-16H2,1-2H3
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n/an/an/a 2.40n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26053
PNG
((1E)-5-[5-(piperidin-4-yl)-2-(pyridin-4-yl)furan-3...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cc(oc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C23H23N3O2/c27-26-21-4-2-17-13-18(1-3-19(17)21)20-14-22(15-5-9-24-10-6-15)28-23(20)16-7-11-25-12-8-16/h1,3,7-8,11-15,21,24H,2,4-6,9-10H2
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n/an/an/a 2.40n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26054
PNG
((1E)-5-{5-[1-(2-methoxyethyl)piperidin-4-yl]-2-(py...)
Show SMILES COCCN1CCC(CC1)c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C26H29N3O3/c1-31-15-14-29-12-8-18(9-13-29)25-17-23(26(32-25)19-6-10-27-11-7-19)21-2-4-22-20(16-21)3-5-24(22)28-30/h2,4,6-7,10-11,16-18,24H,3,5,8-9,12-15H2,1H3
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n/an/an/a 2.70n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26055
PNG
(N-[2-(dimethylamino)ethyl]-4-[(1E)-1-(hydroxyimino...)
Show SMILES CN(C)CCNC(=O)c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C23H24N4O3/c1-27(2)12-11-25-23(28)21-14-19(22(30-21)15-7-9-24-10-8-15)17-3-5-18-16(13-17)4-6-20(18)26-29/h3,5,7-10,13-14,20H,4,6,11-12H2,1-2H3,(H,25,28)
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n/an/an/a 0.5n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26056
PNG
((1E)-5-[5-(morpholin-4-ylmethyl)-2-(pyridin-4-yl)f...)
Show SMILES O=NC1CCc2cc(ccc12)-c1cc(CN2CCOCC2)oc1-c1ccncc1
Show InChI InChI=1S/C23H23N3O3/c27-25-22-4-2-17-13-18(1-3-20(17)22)21-14-19(15-26-9-11-28-12-10-26)29-23(21)16-5-7-24-8-6-16/h1,3,5-8,13-14,22H,2,4,9-12,15H2
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n/an/an/a 7.20n/an/an/a7.522



GSK



Assay Description
The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...


Bioorg Med Chem Lett 18: 4373-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.070
BindingDB Entry DOI: 10.7270/Q26D5R86
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM24773
PNG
(AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...)
Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
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PCBioAssay
n/an/an/a 630n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 1.70E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 2.70E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/a 500n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/an/a 730n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/an/a 2.90E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/an/a 4.80E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/an/a 710n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(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/an/a 540n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2ZK5F2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM24773
PNG
(AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...)
Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
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n/an/an/a 280n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 130n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/an/a 330n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/a 570n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/an/a 430n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/an/a 3.30E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/an/a 2.30E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/an/a 620n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/an/a 530n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(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/an/a 260n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2TX3CQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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US Patent
n/an/an/a 36n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM205483
PNG
(US9260417, 6)
Show SMILES CSc1nc(N)cc(Oc2ccc(cc2)-c2nnc(Nc3cccc(c3)C(F)(F)F)[nH]2)n1
Show InChI InChI=1S/C20H16F3N7OS/c1-32-19-26-15(24)10-16(27-19)31-14-7-5-11(6-8-14)17-28-18(30-29-17)25-13-4-2-3-12(9-13)20(21,22)23/h2-10H,1H3,(H2,24,26,27)(H2,25,28,29,30)
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n/an/an/a>1.00E+4n/an/an/an/an/a



AMITECH THERAPEUTIC SOLUTIONS, INC.

US Patent


Assay Description
For the competitive binding assay, test compounds were screened at 10 uM against 70 diverse kinase targets for competitive binding using the KINOMEsc...


US Patent US9260417 (2016)


BindingDB Entry DOI: 10.7270/Q270807Z
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to BRAF


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to BRAF


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50026612
PNG
(BIBF-1120 | NINTEDANIB | Nintedanib | Vargatef)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRAF kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25628
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2
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n/an/an/a 0.190n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRAF kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRAF kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM24773
PNG
(AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...)
Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
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n/an/an/a 630n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRAF kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 1.70E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRAF kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRAF(V600E) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM25118
PNG
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRAF kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRAF(V600E) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRAF kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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