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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'raddatz' and Initial = 'nj'   
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484231
PNG
(CHEMBL1822068)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 1.70n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484261
PNG
(CHEMBL1822246)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F
Show InChI InChI=1S/C17H15BrF2N4O3S/c1-2-5-28(26,27)24-13-4-3-12(19)14(15(13)20)17(25)23-9-6-10-11(18)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)
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n/an/a 3.40n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484223
PNG
(CHEMBL1822241)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(Br)c3c2)c1F
Show InChI InChI=1S/C16H14BrF2N5O3S/c1-2-5-28(26,27)24-11-4-3-10(18)12(13(11)19)16(25)21-8-6-9-14(17)22-23-15(9)20-7-8/h3-4,6-7,24H,2,5H2,1H3,(H,21,25)(H,20,22,23)
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n/an/a 4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484234
PNG
(CHEMBL1822067)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 4.80n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484698
PNG
(CHEMBL1945165)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F
Show InChI InChI=1S/C16H15ClFN5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22)
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n/an/a 6.30n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484703
PNG
(CHEMBL1945164)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(N(C)C)c3c2)c1F
Show InChI InChI=1S/C18H20F2N6O3S/c1-4-7-30(28,29)25-13-6-5-12(19)14(15(13)20)18(27)22-10-8-11-16(21-9-10)23-24-17(11)26(2)3/h5-6,8-9,25H,4,7H2,1-3H3,(H,22,27)(H,21,23,24)
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n/an/a 8.20n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484246
PNG
(CHEMBL1822243)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C)c3c2)c1F
Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)24-13-5-4-12(18)14(15(13)19)17(25)21-10-7-11-9(2)22-23-16(11)20-8-10/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 12n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484247
PNG
(CHEMBL1822110)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F
Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22)
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n/an/a 17n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484234
PNG
(CHEMBL1822067)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 19n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484231
PNG
(CHEMBL1822068)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 20n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
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 31n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484239
PNG
(CHEMBL1822078)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F
Show InChI InChI=1S/C17H16F2N4O3S/c1-2-7-27(25,26)23-13-4-3-12(18)14(15(13)19)17(24)22-11-8-10-5-6-20-16(10)21-9-11/h3-6,8-9,23H,2,7H2,1H3,(H,20,21)(H,22,24)
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n/an/a 38n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484261
PNG
(CHEMBL1822246)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F
Show InChI InChI=1S/C17H15BrF2N4O3S/c1-2-5-28(26,27)24-13-4-3-12(19)14(15(13)20)17(25)23-9-6-10-11(18)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)
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n/an/a 39n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484703
PNG
(CHEMBL1945164)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(N(C)C)c3c2)c1F
Show InChI InChI=1S/C18H20F2N6O3S/c1-4-7-30(28,29)25-13-6-5-12(19)14(15(13)20)18(27)22-10-8-11-16(21-9-10)23-24-17(11)26(2)3/h5-6,8-9,25H,4,7H2,1-3H3,(H,22,27)(H,21,23,24)
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n/an/a 40n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484223
PNG
(CHEMBL1822241)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(Br)c3c2)c1F
Show InChI InChI=1S/C16H14BrF2N5O3S/c1-2-5-28(26,27)24-11-4-3-10(18)12(13(11)19)16(25)21-8-6-9-14(17)22-23-15(9)20-7-8/h3-4,6-7,24H,2,5H2,1H3,(H,21,25)(H,20,22,23)
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n/an/a 44n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484698
PNG
(CHEMBL1945165)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F
Show InChI InChI=1S/C16H15ClFN5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22)
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n/an/a 56n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
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 61n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484699
PNG
(CHEMBL1945163)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cnc3c2)c1F
Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-11-4-3-10(17)13(14(11)18)16(24)22-9-6-12-15(19-7-9)21-8-20-12/h3-4,6-8,23H,2,5H2,1H3,(H,22,24)(H,19,20,21)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484247
PNG
(CHEMBL1822110)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F
Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22)
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n/an/a 62n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484246
PNG
(CHEMBL1822243)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C)c3c2)c1F
Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)24-13-5-4-12(18)14(15(13)19)17(25)21-10-7-11-9(2)22-23-16(11)20-8-10/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 86n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484239
PNG
(CHEMBL1822078)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F
Show InChI InChI=1S/C17H16F2N4O3S/c1-2-7-27(25,26)23-13-4-3-12(18)14(15(13)19)17(24)22-11-8-10-5-6-20-16(10)21-9-11/h3-6,8-9,23H,2,7H2,1H3,(H,20,21)(H,22,24)
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n/an/a 94n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484702
PNG
(CHEMBL1945020)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc(N)c(Br)c2)c1F
Show InChI InChI=1S/C15H15BrF2N4O3S/c1-2-5-26(24,25)22-11-4-3-10(17)12(13(11)18)15(23)21-8-6-9(16)14(19)20-7-8/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20)(H,21,23)
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n/an/a 110n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484234
PNG
(CHEMBL1822067)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
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 190n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484261
PNG
(CHEMBL1822246)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F
Show InChI InChI=1S/C17H15BrF2N4O3S/c1-2-5-28(26,27)24-13-4-3-12(19)14(15(13)20)17(25)23-9-6-10-11(18)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484231
PNG
(CHEMBL1822068)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484223
PNG
(CHEMBL1822241)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(Br)c3c2)c1F
Show InChI InChI=1S/C16H14BrF2N5O3S/c1-2-5-28(26,27)24-11-4-3-10(18)12(13(11)19)16(25)21-8-6-9-14(17)22-23-15(9)20-7-8/h3-4,6-7,24H,2,5H2,1H3,(H,21,25)(H,20,22,23)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484239
PNG
(CHEMBL1822078)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F
Show InChI InChI=1S/C17H16F2N4O3S/c1-2-7-27(25,26)23-13-4-3-12(18)14(15(13)19)17(24)22-11-8-10-5-6-20-16(10)21-9-11/h3-6,8-9,23H,2,7H2,1H3,(H,20,21)(H,22,24)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484702
PNG
(CHEMBL1945020)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc(N)c(Br)c2)c1F
Show InChI InChI=1S/C15H15BrF2N4O3S/c1-2-5-26(24,25)22-11-4-3-10(17)12(13(11)18)15(23)21-8-6-9(16)14(19)20-7-8/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20)(H,21,23)
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n/an/a 310n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484247
PNG
(CHEMBL1822110)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F
Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484698
PNG
(CHEMBL1945165)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F
Show InChI InChI=1S/C16H15ClFN5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484703
PNG
(CHEMBL1945164)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(N(C)C)c3c2)c1F
Show InChI InChI=1S/C18H20F2N6O3S/c1-4-7-30(28,29)25-13-6-5-12(19)14(15(13)20)18(27)22-10-8-11-16(21-9-10)23-24-17(11)26(2)3/h5-6,8-9,25H,4,7H2,1-3H3,(H,22,27)(H,21,23,24)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484246
PNG
(CHEMBL1822243)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C)c3c2)c1F
Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)24-13-5-4-12(18)14(15(13)19)17(25)21-10-7-11-9(2)22-23-16(11)20-8-10/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 830n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484700
PNG
(CHEMBL1945019)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F
Show InChI InChI=1S/C15H16F2N4O3S/c1-2-7-25(23,24)21-11-5-4-10(16)13(14(11)17)15(22)20-9-3-6-12(18)19-8-9/h3-6,8,21H,2,7H2,1H3,(H2,18,19)(H,20,22)
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n/an/a 920n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484702
PNG
(CHEMBL1945020)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc(N)c(Br)c2)c1F
Show InChI InChI=1S/C15H15BrF2N4O3S/c1-2-5-26(24,25)22-11-4-3-10(17)12(13(11)18)15(23)21-8-6-9(16)14(19)20-7-8/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20)(H,21,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484699
PNG
(CHEMBL1945163)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cnc3c2)c1F
Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-11-4-3-10(17)13(14(11)18)16(24)22-9-6-12-15(19-7-9)21-8-20-12/h3-4,6-8,23H,2,5H2,1H3,(H,22,24)(H,19,20,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484700
PNG
(CHEMBL1945019)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F
Show InChI InChI=1S/C15H16F2N4O3S/c1-2-7-25(23,24)21-11-5-4-10(16)13(14(11)17)15(22)20-9-3-6-12(18)19-8-9/h3-6,8,21H,2,7H2,1H3,(H2,18,19)(H,20,22)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484700
PNG
(CHEMBL1945019)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F
Show InChI InChI=1S/C15H16F2N4O3S/c1-2-7-25(23,24)21-11-5-4-10(16)13(14(11)17)15(22)20-9-3-6-12(18)19-8-9/h3-6,8,21H,2,7H2,1H3,(H2,18,19)(H,20,22)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484701
PNG
(CHEMBL1945018)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cccnc2)c1F
Show InChI InChI=1S/C15H15F2N3O3S/c1-2-8-24(22,23)20-12-6-5-11(16)13(14(12)17)15(21)19-10-4-3-7-18-9-10/h3-7,9,20H,2,8H2,1H3,(H,19,21)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484699
PNG
(CHEMBL1945163)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cnc3c2)c1F
Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-11-4-3-10(17)13(14(11)18)16(24)22-9-6-12-15(19-7-9)21-8-20-12/h3-4,6-8,23H,2,5H2,1H3,(H,22,24)(H,19,20,21)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484701
PNG
(CHEMBL1945018)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cccnc2)c1F
Show InChI InChI=1S/C15H15F2N3O3S/c1-2-8-24(22,23)20-12-6-5-11(16)13(14(12)17)15(21)19-10-4-3-7-18-9-10/h3-7,9,20H,2,8H2,1H3,(H,19,21)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484701
PNG
(CHEMBL1945018)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cccnc2)c1F
Show InChI InChI=1S/C15H15F2N3O3S/c1-2-8-24(22,23)20-12-6-5-11(16)13(14(12)17)15(21)19-10-4-3-7-18-9-10/h3-7,9,20H,2,8H2,1H3,(H,19,21)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair