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Compile Data Set for Download or QSAR

Found 263 hits with Last Name = 'krier' and Initial = 'm'   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.5n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Competitive binding affinity to FAK kinase domain (410 to 689) (unknown origin) assessed as phosphorylation of p(Glu/Tyr) in presence of ATP


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425672
PNG
(CHEMBL2315584)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H19F4N5O2S/c1-31(34(2,32)33)21-14(4-3-9-27-21)11-28-19-16-10-18(13-5-7-15(23)8-6-13)30-20(16)29-12-17(19)22(24,25)26/h3-10,12H,11H2,1-2H3,(H2,28,29,30)
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n/an/a 37n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425681
PNG
(CHEMBL2315564)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C22H16FN5O/c1-25-22(29)16-4-2-3-5-18(16)27-20-14(11-24)12-26-21-17(20)10-19(28-21)13-6-8-15(23)9-7-13/h2-10,12H,1H3,(H,25,29)(H2,26,27,28)
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n/an/a 37n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234032
PNG
(CHEMBL4060668)
Show SMILES C(Oc1cncc2ccccc12)[C@H]1CCCN1c1ccnc2ncnn12 |r|
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n/an/a 38n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
RAF proto-oncogene 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/a 40n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425687
PNG
(CHEMBL2315565)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O2/c1-30-25(35)18-4-2-3-5-21(18)32-23-19-14-22(33-24(19)31-15-20(23)26(27,28)29)16-6-8-17(9-7-16)34-10-12-36-13-11-34/h2-9,14-15H,10-13H2,1H3,(H,30,35)(H2,31,32,33)
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n/an/a 45n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425686
PNG
(CHEMBL2315566)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N6O2/c1-29-24(35)16-4-2-3-5-19(16)32-22-17-12-20(33-23(17)31-14-18(22)25(26,27)28)15-6-7-21(30-13-15)34-8-10-36-11-9-34/h2-7,12-14H,8-11H2,1H3,(H,29,35)(H2,31,32,33)
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n/an/a 45n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425679
PNG
(CHEMBL2315562)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F4N4O/c1-27-21(31)14-4-2-3-5-17(14)29-19-15-10-18(12-6-8-13(23)9-7-12)30-20(15)28-11-16(19)22(24,25)26/h2-11H,1H3,(H,27,31)(H2,28,29,30)
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n/an/a 51n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425688
PNG
(CHEMBL2315563)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N5O/c1-25-20(30)13-6-2-3-7-16(13)28-18-14-9-17(12-5-4-8-26-10-12)29-19(14)27-11-15(18)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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n/an/a 57n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340266
PNG
(7-(2-(3-(4-chloro-2-methoxy-5-(trifluoromethyl)phe...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(c(Cl)cc3OC)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C22H20ClF3N4O3/c1-27-20(31)18-8-13-4-3-12(7-14(13)11-29-18)5-6-28-21(32)30-17-9-15(22(24,25)26)16(23)10-19(17)33-2/h3-4,7-11H,5-6H2,1-2H3,(H,27,31)(H2,28,30,32)
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n/an/a 80n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425687
PNG
(CHEMBL2315565)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O2/c1-30-25(35)18-4-2-3-5-21(18)32-23-19-14-22(33-24(19)31-15-20(23)26(27,28)29)16-6-8-17(9-7-16)34-10-12-36-13-11-34/h2-9,14-15H,10-13H2,1H3,(H,30,35)(H2,31,32,33)
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n/an/a 83n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425686
PNG
(CHEMBL2315566)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N6O2/c1-29-24(35)16-4-2-3-5-19(16)32-22-17-12-20(33-23(17)31-14-18(22)25(26,27)28)15-6-7-21(30-13-15)34-8-10-36-11-9-34/h2-7,12-14H,8-11H2,1H3,(H,29,35)(H2,31,32,33)
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n/an/a 107n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234031
PNG
(CHEMBL4082542)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ccnc2ncnn12 |r|
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n/an/a 110n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340264
PNG
(7-(2-(3-(5-chloro-2-methoxy-4-methylphenyl)ureido)...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(Cl)c(C)cc3OC)cc2cn1
Show InChI InChI=1S/C22H23ClN4O3/c1-13-8-20(30-3)18(11-17(13)23)27-22(29)25-7-6-14-4-5-15-10-19(21(28)24-2)26-12-16(15)9-14/h4-5,8-12H,6-7H2,1-3H3,(H,24,28)(H2,25,27,29)
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n/an/a 110n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340262
PNG
(7-(2-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureid...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(ccc3OC)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C22H21F3N4O3/c1-26-20(30)18-10-14-4-3-13(9-15(14)12-28-18)7-8-27-21(31)29-17-11-16(22(23,24)25)5-6-19(17)32-2/h3-6,9-12H,7-8H2,1-2H3,(H,26,30)(H2,27,29,31)
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n/an/a 120n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425685
PNG
(CHEMBL2315572)
Show SMILES CN(c1ncccc1CNc1c(cnc2nc([nH]c12)-c1ccc(F)cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H18F4N6O2S/c1-31(34(2,32)33)20-13(4-3-9-26-20)10-27-16-15(21(23,24)25)11-28-19-17(16)29-18(30-19)12-5-7-14(22)8-6-12/h3-9,11H,10H2,1-2H3,(H2,27,28,29,30)
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n/an/a 130n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340273
PNG
(CHEMBL1760633 | N-(6-(2-(3-(4-chloro-3-(trifluorom...)
Show SMILES CC(=O)Nc1nc2ccc(CCNC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C19H17ClF3N5O2/c1-10(29)25-17-27-15-5-2-11(8-16(15)28-17)6-7-24-18(30)26-12-3-4-14(20)13(9-12)19(21,22)23/h2-5,8-9H,6-7H2,1H3,(H2,24,26,30)(H2,25,27,28,29)
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n/an/a 140n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340259
PNG
(7-(2-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C21H18ClF3N4O2/c1-26-19(30)18-9-13-3-2-12(8-14(13)11-28-18)6-7-27-20(31)29-15-4-5-17(22)16(10-15)21(23,24)25/h2-5,8-11H,6-7H2,1H3,(H,26,30)(H2,27,29,31)
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n/an/a 160n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340270
PNG
(CHEMBL1760630 | N-(6-(2-(3-(2-methoxy-5-(trifluoro...)
Show SMILES COc1ccc(cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-11(29)25-18-26-14-5-3-12(9-15(14)27-18)7-8-24-19(30)28-16-10-13(20(21,22)23)4-6-17(16)31-2/h3-6,9-10H,7-8H2,1-2H3,(H2,24,28,30)(H2,25,26,27,29)
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n/an/a 170n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425684
PNG
(CHEMBL2315571)
Show SMILES CNC(=O)c1ccccc1Nc1c(Br)cnc2nc([nH]c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15BrFN5O/c1-23-20(28)13-4-2-3-5-15(13)25-16-14(21)10-24-19-17(16)26-18(27-19)11-6-8-12(22)9-7-11/h2-10H,1H3,(H,23,28)(H2,24,25,26,27)
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n/an/a 170n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425673
PNG
(CHEMBL2315580)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H19FN6O2S/c1-29(32(2,30)31)22-15(4-3-9-25-22)12-26-20-16(11-24)13-27-21-18(20)10-19(28-21)14-5-7-17(23)8-6-14/h3-10,13H,12H2,1-2H3,(H2,26,27,28)
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n/an/a 177n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340285
PNG
(CHEMBL1760736 | N-(6-(2-(3-(2-(2-aminoethoxy)-4-ch...)
Show SMILES CC(=O)Nc1nc2ccc(CCNC(=O)Nc3cc(c(Cl)cc3OCCN)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C21H22ClF3N6O3/c1-11(32)28-19-29-15-3-2-12(8-16(15)30-19)4-6-27-20(33)31-17-9-13(21(23,24)25)14(22)10-18(17)34-7-5-26/h2-3,8-10H,4-7,26H2,1H3,(H2,27,31,33)(H2,28,29,30,32)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340265
PNG
(7-(2-(3-(4-chloro-2-methoxy-5-methylphenyl)ureido)...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(C)c(Cl)cc3OC)cc2cn1
Show InChI InChI=1S/C22H23ClN4O3/c1-13-8-18(20(30-3)11-17(13)23)27-22(29)25-7-6-14-4-5-15-10-19(21(28)24-2)26-12-16(15)9-14/h4-5,8-12H,6-7H2,1-3H3,(H,24,28)(H2,25,27,29)
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n/an/a 190n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340277
PNG
(CHEMBL1760637 | N-(6-(2-(3-(5-chloro-2-methoxy-4-m...)
Show SMILES COc1cc(C)c(Cl)cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1
Show InChI InChI=1S/C20H22ClN5O3/c1-11-8-18(29-3)17(10-14(11)21)26-20(28)22-7-6-13-4-5-15-16(9-13)25-19(24-15)23-12(2)27/h4-5,8-10H,6-7H2,1-3H3,(H2,22,26,28)(H2,23,24,25,27)
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n/an/a 190n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425675
PNG
(CHEMBL2315579)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccccc1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27)
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n/an/a 195n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340288
PNG
(CHEMBL1760617 | N-methyl-7-(2-(3-(3-(trifluorometh...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cccc(c3)S(=O)(=O)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C21H19F3N4O4S/c1-25-19(29)18-10-14-6-5-13(9-15(14)12-27-18)7-8-26-20(30)28-16-3-2-4-17(11-16)33(31,32)21(22,23)24/h2-6,9-12H,7-8H2,1H3,(H,25,29)(H2,26,28,30)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340258
PNG
(CHEMBL1760619 | N-methyl-7-(2-(3-(4-methyl-3-(trif...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3ccc(C)c(c3)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C22H21F3N4O2/c1-13-3-6-17(11-18(13)22(23,24)25)29-21(31)27-8-7-14-4-5-15-10-19(20(30)26-2)28-12-16(15)9-14/h3-6,9-12H,7-8H2,1-2H3,(H,26,30)(H2,27,29,31)
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n/an/a 200n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340281
PNG
(CHEMBL1760641 | N-(6-(2-(3-(2-(2-(methylamino)etho...)
Show SMILES CNCCOc1ccc(cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N6O3/c1-13(32)28-20-29-16-5-3-14(11-17(16)30-20)7-8-27-21(33)31-18-12-15(22(23,24)25)4-6-19(18)34-10-9-26-2/h3-6,11-12,26H,7-10H2,1-2H3,(H2,27,31,33)(H2,28,29,30,32)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425667
PNG
(CHEMBL2315583)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccnc(C)c1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H21N7O2S/c1-14-9-15(6-8-24-14)19-10-18-20(17(11-23)13-27-21(18)28-19)26-12-16-5-4-7-25-22(16)29(2)32(3,30)31/h4-10,13H,12H2,1-3H3,(H2,26,27,28)
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Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340282
PNG
(CHEMBL1760642 | N-(6-(2-(3-(4-chloro-2-(2-(methyla...)
Show SMILES CNCCOc1cc(Cl)c(cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1)C(F)(F)F
Show InChI InChI=1S/C22H24ClF3N6O3/c1-12(33)29-20-30-16-4-3-13(9-17(16)31-20)5-6-28-21(34)32-18-10-14(22(24,25)26)15(23)11-19(18)35-8-7-27-2/h3-4,9-11,27H,5-8H2,1-2H3,(H2,28,32,34)(H2,29,30,31,33)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340290
PNG
(CHEMBL1760737 | N-(6-(2-(3-(2-(pyrrolidin-2-ylmeth...)
Show SMILES CC(=O)Nc1nc2ccc(CCNC(=O)Nc3cc(ccc3OCC3CCCN3)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C24H27F3N6O3/c1-14(34)30-22-31-18-6-4-15(11-19(18)32-22)8-10-29-23(35)33-20-12-16(24(25,26)27)5-7-21(20)36-13-17-3-2-9-28-17/h4-7,11-12,17,28H,2-3,8-10,13H2,1H3,(H2,29,33,35)(H2,30,31,32,34)
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n/an/a 230n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234025
PNG
(CHEMBL4093791)
Show SMILES C(Oc1cccc2cnccc12)[C@H]1CCCN1c1ncnc2[nH]cnc12 |r|
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n/an/a 230n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340260
PNG
(7-(2-(3-(4-fluoro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3ccc(F)c(c3)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C21H18F4N4O2/c1-26-19(30)18-9-13-3-2-12(8-14(13)11-28-18)6-7-27-20(31)29-15-4-5-17(22)16(10-15)21(23,24)25/h2-5,8-11H,6-7H2,1H3,(H,26,30)(H2,27,29,31)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340284
PNG
(CHEMBL1760735 | N-(6-(2-(3-(2-(2-aminoethoxy)-5-(t...)
Show SMILES CC(=O)Nc1nc2ccc(CCNC(=O)Nc3cc(ccc3OCCN)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C21H23F3N6O3/c1-12(31)27-19-28-15-4-2-13(10-16(15)29-19)6-8-26-20(32)30-17-11-14(21(22,23)24)3-5-18(17)33-9-7-25/h2-5,10-11H,6-9,25H2,1H3,(H2,26,30,32)(H2,27,28,29,31)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340261
PNG
(7-(2-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(ccc3F)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C21H18F4N4O2/c1-26-19(30)18-9-13-3-2-12(8-14(13)11-28-18)6-7-27-20(31)29-17-10-15(21(23,24)25)4-5-16(17)22/h2-5,8-11H,6-7H2,1H3,(H,26,30)(H2,27,29,31)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340287
PNG
(CHEMBL1760616 | N-methyl-7-(2-(3-(3-(trifluorometh...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cccc(OC(F)(F)F)c3)cc2cn1
Show InChI InChI=1S/C21H19F3N4O3/c1-25-19(29)18-10-14-6-5-13(9-15(14)12-27-18)7-8-26-20(30)28-16-3-2-4-17(11-16)31-21(22,23)24/h2-6,9-12H,7-8H2,1H3,(H,25,29)(H2,26,28,30)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50440370
PNG
(CHEMBL2425144)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C
Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)
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n/an/a 266n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340271
PNG
(6-(2-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES CNC(=O)c1nc2ccc(CCNC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C19H17ClF3N5O2/c1-24-17(29)16-27-14-5-2-10(8-15(14)28-16)6-7-25-18(30)26-11-3-4-13(20)12(9-11)19(21,22)23/h2-5,8-9H,6-7H2,1H3,(H,24,29)(H,27,28)(H2,25,26,30)
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n/an/a 280n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340278
PNG
(CHEMBL1760638 | N-(6-(2-(3-(4-chloro-2-methoxy-5-m...)
Show SMILES COc1cc(Cl)c(C)cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1
Show InChI InChI=1S/C20H22ClN5O3/c1-11-8-17(18(29-3)10-14(11)21)26-20(28)22-7-6-13-4-5-15-16(9-13)25-19(24-15)23-12(2)27/h4-5,8-10H,6-7H2,1-3H3,(H2,22,26,28)(H2,23,24,25,27)
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n/an/a 320n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340268
PNG
(6-(2-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureid...)
Show SMILES CNC(=O)c1nc2ccc(CCNC(=O)Nc3cc(ccc3OC)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C20H20F3N5O3/c1-24-18(29)17-26-13-5-3-11(9-14(13)27-17)7-8-25-19(30)28-15-10-12(20(21,22)23)4-6-16(15)31-2/h3-6,9-10H,7-8H2,1-2H3,(H,24,29)(H,26,27)(H2,25,28,30)
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n/an/a 340n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340267
PNG
(7-(2-(3-(4-chloro-2-(2-(dimethylamino)ethoxy)-5-(t...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(c(Cl)cc3OCCN(C)C)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C25H27ClF3N5O3/c1-30-23(35)21-11-16-5-4-15(10-17(16)14-32-21)6-7-31-24(36)33-20-12-18(25(27,28)29)19(26)13-22(20)37-9-8-34(2)3/h4-5,10-14H,6-9H2,1-3H3,(H,30,35)(H2,31,33,36)
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n/an/a 340n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340286
PNG
(CHEMBL1760615 | N-methyl-7-(2-(3-(3-(trifluorometh...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cccc(c3)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C21H19F3N4O2/c1-25-19(29)18-10-14-6-5-13(9-15(14)12-27-18)7-8-26-20(30)28-17-4-2-3-16(11-17)21(22,23)24/h2-6,9-12H,7-8H2,1H3,(H,25,29)(H2,26,28,30)
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n/an/a 360n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425681
PNG
(CHEMBL2315564)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C22H16FN5O/c1-25-22(29)16-4-2-3-5-18(16)27-20-14(11-24)12-26-21-17(20)10-19(28-21)13-6-8-15(23)9-7-13/h2-10,12H,1H3,(H,25,29)(H2,26,27,28)
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n/an/a 365n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340289
PNG
(CHEMBL1760618 | N-methyl-7-(2-(3-(4-(trifluorometh...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3ccc(cc3)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C21H19F3N4O2/c1-25-19(29)18-11-14-3-2-13(10-15(14)12-27-18)8-9-26-20(30)28-17-6-4-16(5-7-17)21(22,23)24/h2-7,10-12H,8-9H2,1H3,(H,25,29)(H2,26,28,30)
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n/an/a 370n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50440368
PNG
(CHEMBL2425146)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C
Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)
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n/an/a 400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50440368
PNG
(CHEMBL2425146)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C
Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)
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n/an/a 400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50440370
PNG
(CHEMBL2425144)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C
Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)
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n/an/a 414n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PYK2 (unknown origin)


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340263
PNG
(7-(2-(3-(2-(2-(dimethylamino)ethoxy)-5-(trifluorom...)
Show SMILES CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(ccc3OCCN(C)C)C(F)(F)F)cc2cn1
Show InChI InChI=1S/C25H28F3N5O3/c1-29-23(34)21-13-17-5-4-16(12-18(17)15-31-21)8-9-30-24(35)32-20-14-19(25(26,27)28)6-7-22(20)36-11-10-33(2)3/h4-7,12-15H,8-11H2,1-3H3,(H,29,34)(H2,30,32,35)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234035
PNG
(CHEMBL4070008)
Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ncnc2[nH]cnc12 |r|
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Merck KGaA

Curated by ChEMBL




Bioorg Med Chem Lett 27: 551-556 (2017)


BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50340274
PNG
(CHEMBL1760634 | N-(6-(2-(3-(3-(trifluoromethyl)phe...)
Show SMILES CC(=O)Nc1nc2ccc(CCNC(=O)Nc3cccc(c3)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C19H18F3N5O2/c1-11(28)24-17-26-15-6-5-12(9-16(15)27-17)7-8-23-18(29)25-14-4-2-3-13(10-14)19(20,21)22/h2-6,9-10H,7-8H2,1H3,(H2,23,25,29)(H2,24,26,27,28)
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Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting


Bioorg Med Chem Lett 21: 2264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23
More data for this
Ligand-Target Pair
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