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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50000928   
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264689
PNG
(CHEMBL4060057)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N5O2/c1-13-3-4-14(21(34)32-15-5-6-17(25)16(10-15)24(26,27)28)9-18(13)33-22(35)23(7-8-23)19-11-20(29-2)31-12-30-19/h3-6,9-12H,7-8H2,1-2H3,(H,32,34)(H,33,35)(H,29,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 2.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
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 6.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264730
PNG
(CHEMBL4080362)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCC2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N6O3/c1-19-4-5-21(14-24(19)39-29(42)30(10-11-30)26-16-27(35-2)37-18-36-26)28(41)38-22-6-7-25(23(15-22)31(32,33)34)43-17-20-8-12-40(3)13-9-20/h4-7,14-16,18,20H,8-13,17H2,1-3H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 6.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 6.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase A-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 7.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264690
PNG
(CHEMBL4066939)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N6O3/c1-18-4-5-19(14-23(18)38-28(41)29(10-11-29)25-16-26(34-2)36-17-35-25)27(40)37-20-6-7-24(22(15-20)30(31,32)33)42-21-8-12-39(3)13-9-21/h4-7,14-17,21H,8-13H2,1-3H3,(H,37,40)(H,38,41)(H,34,35,36)
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n/an/a 8.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264730
PNG
(CHEMBL4080362)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCC2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N6O3/c1-19-4-5-21(14-24(19)39-29(42)30(10-11-30)26-16-27(35-2)37-18-36-26)28(41)38-22-6-7-25(23(15-22)31(32,33)34)43-17-20-8-12-40(3)13-9-20/h4-7,14-16,18,20H,8-13,17H2,1-3H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264719
PNG
(CHEMBL4075036)
Show SMILES CN1CCN(CCCNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H35ClF3N7O2/c1-20-4-5-21(28(43)39-22-6-7-24(32)23(17-22)31(33,34)35)16-25(20)40-29(44)30(8-9-30)26-18-27(38-19-37-26)36-10-3-11-42-14-12-41(2)13-15-42/h4-7,16-19H,3,8-15H2,1-2H3,(H,39,43)(H,40,44)(H,36,37,38)
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264690
PNG
(CHEMBL4066939)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N6O3/c1-18-4-5-19(14-23(18)38-28(41)29(10-11-29)25-16-26(34-2)36-17-35-25)27(40)37-20-6-7-24(22(15-20)30(31,32)33)42-21-8-12-39(3)13-9-21/h4-7,14-17,21H,8-13H2,1-3H3,(H,37,40)(H,38,41)(H,34,35,36)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264691
PNG
(CHEMBL4104590)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCCCN2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N6O4/c1-20-4-5-21(16-24(20)39-29(42)30(8-9-30)26-18-27(35-2)37-19-36-26)28(41)38-22-6-7-25(23(17-22)31(32,33)34)44-13-3-10-40-11-14-43-15-12-40/h4-7,16-19H,3,8-15H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264689
PNG
(CHEMBL4060057)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N5O2/c1-13-3-4-14(21(34)32-15-5-6-17(25)16(10-15)24(26,27)28)9-18(13)33-22(35)23(7-8-23)19-11-20(29-2)31-12-30-19/h3-6,9-12H,7-8H2,1-2H3,(H,32,34)(H,33,35)(H,29,30,31)
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n/an/a 17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264689
PNG
(CHEMBL4060057)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N5O2/c1-13-3-4-14(21(34)32-15-5-6-17(25)16(10-15)24(26,27)28)9-18(13)33-22(35)23(7-8-23)19-11-20(29-2)31-12-30-19/h3-6,9-12H,7-8H2,1-2H3,(H,32,34)(H,33,35)(H,29,30,31)
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n/an/a 18n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264716
PNG
(CHEMBL4087837)
Show SMILES CN(C)CCCNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF3N6O2/c1-17-5-6-18(25(39)36-19-7-8-21(29)20(14-19)28(30,31)32)13-22(17)37-26(40)27(9-10-27)23-15-24(35-16-34-23)33-11-4-12-38(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,36,39)(H,37,40)(H,33,34,35)
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n/an/a 19n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264691
PNG
(CHEMBL4104590)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCCCN2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N6O4/c1-20-4-5-21(16-24(20)39-29(42)30(8-9-30)26-18-27(35-2)37-19-36-26)28(41)38-22-6-7-25(23(17-22)31(32,33)34)44-13-3-10-40-11-14-43-15-12-40/h4-7,16-19H,3,8-15H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264718
PNG
(CHEMBL4085294)
Show SMILES CN1CCC(CNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H32ClF3N6O2/c1-18-3-4-20(27(41)38-21-5-6-23(31)22(14-21)30(32,33)34)13-24(18)39-28(42)29(9-10-29)25-15-26(37-17-36-25)35-16-19-7-11-40(2)12-8-19/h3-6,13-15,17,19H,7-12,16H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264717
PNG
(CHEMBL4082425)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1cc(NCCN2CCCC2)ncn1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H30ClF3N6O2/c1-18-4-5-19(26(40)37-20-6-7-22(30)21(15-20)29(31,32)33)14-23(18)38-27(41)28(8-9-28)24-16-25(36-17-35-24)34-10-13-39-11-2-3-12-39/h4-7,14-17H,2-3,8-13H2,1H3,(H,37,40)(H,38,41)(H,34,35,36)
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n/an/a 22n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-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 23n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264719
PNG
(CHEMBL4075036)
Show SMILES CN1CCN(CCCNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H35ClF3N7O2/c1-20-4-5-21(28(43)39-22-6-7-24(32)23(17-22)31(33,34)35)16-25(20)40-29(44)30(8-9-30)26-18-27(38-19-37-26)36-10-3-11-42-14-12-41(2)13-15-42/h4-7,16-19H,3,8-15H2,1-2H3,(H,39,43)(H,40,44)(H,36,37,38)
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n/an/a 25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264719
PNG
(CHEMBL4075036)
Show SMILES CN1CCN(CCCNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H35ClF3N7O2/c1-20-4-5-21(28(43)39-22-6-7-24(32)23(17-22)31(33,34)35)16-25(20)40-29(44)30(8-9-30)26-18-27(38-19-37-26)36-10-3-11-42-14-12-41(2)13-15-42/h4-7,16-19H,3,8-15H2,1-2H3,(H,39,43)(H,40,44)(H,36,37,38)
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n/an/a 30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264716
PNG
(CHEMBL4087837)
Show SMILES CN(C)CCCNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF3N6O2/c1-17-5-6-18(25(39)36-19-7-8-21(29)20(14-19)28(30,31)32)13-22(17)37-26(40)27(9-10-27)23-15-24(35-16-34-23)33-11-4-12-38(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,36,39)(H,37,40)(H,33,34,35)
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n/an/a 34n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264716
PNG
(CHEMBL4087837)
Show SMILES CN(C)CCCNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H30ClF3N6O2/c1-17-5-6-18(25(39)36-19-7-8-21(29)20(14-19)28(30,31)32)13-22(17)37-26(40)27(9-10-27)23-15-24(35-16-34-23)33-11-4-12-38(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,36,39)(H,37,40)(H,33,34,35)
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n/an/a 34n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264731
PNG
(CHEMBL4060531)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1cc(NCCN2CCCCC2)ncn1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H32ClF3N6O2/c1-19-5-6-20(27(41)38-21-7-8-23(31)22(16-21)30(32,33)34)15-24(19)39-28(42)29(9-10-29)25-17-26(37-18-36-25)35-11-14-40-12-3-2-4-13-40/h5-8,15-18H,2-4,9-14H2,1H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 35n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264730
PNG
(CHEMBL4080362)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCC2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N6O3/c1-19-4-5-21(14-24(19)39-29(42)30(10-11-30)26-16-27(35-2)37-18-36-26)28(41)38-22-6-7-25(23(15-22)31(32,33)34)43-17-20-8-12-40(3)13-9-20/h4-7,14-16,18,20H,8-13,17H2,1-3H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 38n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264718
PNG
(CHEMBL4085294)
Show SMILES CN1CCC(CNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H32ClF3N6O2/c1-18-3-4-20(27(41)38-21-5-6-23(31)22(14-21)30(32,33)34)13-24(18)39-28(42)29(9-10-29)25-15-26(37-17-36-25)35-16-19-7-11-40(2)12-8-19/h3-6,13-15,17,19H,7-12,16H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264691
PNG
(CHEMBL4104590)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCCCN2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N6O4/c1-20-4-5-21(16-24(20)39-29(42)30(8-9-30)26-18-27(35-2)37-19-36-26)28(41)38-22-6-7-25(23(17-22)31(32,33)34)44-13-3-10-40-11-14-43-15-12-40/h4-7,16-19H,3,8-15H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264718
PNG
(CHEMBL4085294)
Show SMILES CN1CCC(CNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H32ClF3N6O2/c1-18-3-4-20(27(41)38-21-5-6-23(31)22(14-21)30(32,33)34)13-24(18)39-28(42)29(9-10-29)25-15-26(37-17-36-25)35-16-19-7-11-40(2)12-8-19/h3-6,13-15,17,19H,7-12,16H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 42n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50264729
PNG
(CHEMBL4101882)
Show SMILES CNc1nccc(n1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N5O2/c1-13-3-4-14(20(34)31-15-5-6-17(25)16(12-15)24(26,27)28)11-18(13)32-21(35)23(8-9-23)19-7-10-30-22(29-2)33-19/h3-7,10-12H,8-9H2,1-2H3,(H,31,34)(H,32,35)(H,29,30,33)
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n/an/a 43n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264690
PNG
(CHEMBL4066939)
Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N6O3/c1-18-4-5-19(14-23(18)38-28(41)29(10-11-29)25-16-26(34-2)36-17-35-25)27(40)37-20-6-7-24(22(15-20)30(31,32)33)42-21-8-12-39(3)13-9-21/h4-7,14-17,21H,8-13H2,1-3H3,(H,37,40)(H,38,41)(H,34,35,36)
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n/an/a 43n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264717
PNG
(CHEMBL4082425)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1cc(NCCN2CCCC2)ncn1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H30ClF3N6O2/c1-18-4-5-19(26(40)37-20-6-7-22(30)21(15-20)29(31,32)33)14-23(18)38-27(41)28(8-9-28)24-16-25(36-17-35-24)34-10-13-39-11-2-3-12-39/h4-7,14-17H,2-3,8-13H2,1H3,(H,37,40)(H,38,41)(H,34,35,36)
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n/an/a 47n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264717
PNG
(CHEMBL4082425)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1cc(NCCN2CCCC2)ncn1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H30ClF3N6O2/c1-18-4-5-19(26(40)37-20-6-7-22(30)21(15-20)29(31,32)33)14-23(18)38-27(41)28(8-9-28)24-16-25(36-17-35-24)34-10-13-39-11-2-3-12-39/h4-7,14-17H,2-3,8-13H2,1H3,(H,37,40)(H,38,41)(H,34,35,36)
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n/an/a 52n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264731
PNG
(CHEMBL4060531)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1cc(NCCN2CCCCC2)ncn1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H32ClF3N6O2/c1-19-5-6-20(27(41)38-21-7-8-23(31)22(16-21)30(32,33)34)15-24(19)39-28(42)29(9-10-29)25-17-26(37-18-36-25)35-11-14-40-12-3-2-4-13-40/h5-8,15-18H,2-4,9-14H2,1H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 57n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264731
PNG
(CHEMBL4060531)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1cc(NCCN2CCCCC2)ncn1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H32ClF3N6O2/c1-19-5-6-20(27(41)38-21-7-8-23(31)22(16-21)30(32,33)34)15-24(19)39-28(42)29(9-10-29)25-17-26(37-18-36-25)35-11-14-40-12-3-2-4-13-40/h5-8,15-18H,2-4,9-14H2,1H3,(H,38,41)(H,39,42)(H,35,36,37)
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n/an/a 60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 135n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))		BDBM50264729
PNG
(CHEMBL4101882)
Show SMILES CNc1nccc(n1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N5O2/c1-13-3-4-14(20(34)31-15-5-6-17(25)16(12-15)24(26,27)28)11-18(13)32-21(35)23(8-9-23)19-7-10-30-22(29-2)33-19/h3-7,10-12H,8-9H2,1-2H3,(H,31,34)(H,32,35)(H,29,30,33)
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n/an/a 194n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50264729
PNG
(CHEMBL4101882)
Show SMILES CNc1nccc(n1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N5O2/c1-13-3-4-14(20(34)31-15-5-6-17(25)16(12-15)24(26,27)28)11-18(13)32-21(35)23(8-9-23)19-7-10-30-22(29-2)33-19/h3-7,10-12H,8-9H2,1-2H3,(H,31,34)(H,32,35)(H,29,30,33)
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n/an/a 287n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...

Eur J Med Chem 130: 86-106 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.041
BindingDB Entry DOI: 10.7270/Q2DN47JG
More data for this
Ligand-Target Pair