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Compile Data Set for Download or QSAR

Found 497 hits with Last Name = 'berger' and Initial = 'dm'   
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))
BDBM50026207
PNG
(CHEMBL1276170)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(Cl)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026212
PNG
(CHEMBL1276185)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330925
PNG
(7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyc...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12
Show InChI InChI=1S/C30H23F3N8/c1-39-14-19-10-18(39)15-40(19)17-11-23(32)27(24(33)12-17)25-6-9-35-30-26(20-2-3-22(31)29-21(20)13-36-37-29)28(38-41(25)30)16-4-7-34-8-5-16/h2-9,11-13,18-19H,10,14-15H2,1H3,(H,36,37)/t18-,19-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6469
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C29H29ClN4O4/c1-18-10-23(30)26(35-2)15-24(18)33-29-21(16-31)17-32-25-12-20-14-28(27(36-3)13-19(20)11-22(25)29)38-9-6-34-4-7-37-8-5-34/h10-15,17H,4-9H2,1-3H3,(H,32,33)
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n/an/a 0.150n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330905
PNG
(7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyc...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C30H24F2N8/c1-38-15-20-11-19(38)16-39(20)18-12-23(31)28(24(32)13-18)26-7-10-34-30-27(21-3-2-4-25-22(21)14-35-36-25)29(37-40(26)30)17-5-8-33-9-6-17/h2-10,12-14,19-20H,11,15-16H2,1H3,(H,35,36)/t19-,20-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330924
PNG
(7-(2-fluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C30H25FN8/c1-37-16-21-13-20(37)17-38(21)19-5-6-23(25(31)14-19)27-9-12-33-30-28(22-3-2-4-26-24(22)15-34-35-26)29(36-39(27)30)18-7-10-32-11-8-18/h2-12,14-15,20-21H,13,16-17H2,1H3,(H,34,35)/t20-,21-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6472
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H29Cl2N5O3/c1-35-4-6-36(7-5-35)8-9-39-28-13-19-11-24-21(10-18(19)12-27(28)38-3)29(20(16-32)17-33-24)34-25-15-26(37-2)23(31)14-22(25)30/h10-15,17H,4-9H2,1-3H3,(H,33,34)
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n/an/a 0.290n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50303103
PNG
(1-(3-(3-(4-chloro-3-hydroxyphenyl)-2-(pyridin-4-yl...)
Show SMILES CC(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(Cl)c(O)c1
Show InChI InChI=1S/C26H24ClN5O2/c1-15(33)31-19-3-4-20(31)13-18(12-19)22-8-11-29-26-24(17-2-5-21(27)23(34)14-17)25(30-32(22)26)16-6-9-28-10-7-16/h2,5-11,14,18-20,34H,3-4,12-13H2,1H3
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n/an/a 0.300n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 19: 6957-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.058
BindingDB Entry DOI: 10.7270/Q2833S34
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6470
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C30H32ClN5O3/c1-19-11-24(31)27(37-3)16-25(19)34-30-22(17-32)18-33-26-13-21-15-29(28(38-4)14-20(21)12-23(26)30)39-10-9-36-7-5-35(2)6-8-36/h11-16,18H,5-10H2,1-4H3,(H,33,34)
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n/an/a 0.310n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026010
PNG
(CHEMBL1087013)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1
Show InChI InChI=1S/C29H25FN6O/c1-34-16-22-14-21(34)17-35(22)20-5-6-24(25(30)15-20)26-9-12-32-29-27(19-3-2-4-23(37)13-19)28(33-36(26)29)18-7-10-31-11-8-18/h2-13,15,21-22,37H,14,16-17H2,1H3/t21-,22-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026208
PNG
(CHEMBL1276193)
Show SMILES CCN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
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n/an/a<0.320n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026014
PNG
(CHEMBL1081284)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(C)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c(O)c1
Show InChI InChI=1S/C30H27FN6O/c1-18-13-21(36-17-22-15-23(36)16-35(22)2)4-5-24(18)26-9-12-33-30-28(20-3-6-25(31)27(38)14-20)29(34-37(26)30)19-7-10-32-11-8-19/h3-14,22-23,38H,15-17H2,1-2H3/t22-,23-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026013
PNG
(CHEMBL1086882)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(C)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1
Show InChI InChI=1S/C30H28N6O/c1-19-14-22(35-18-23-16-24(35)17-34(23)2)6-7-26(19)27-10-13-32-30-28(21-4-3-5-25(37)15-21)29(33-36(27)30)20-8-11-31-12-9-20/h3-15,23-24,37H,16-18H2,1-2H3/t23-,24-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50025981
PNG
(CHEMBL1088437)
Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1F)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1
Show InChI InChI=1S/C28H23FN6O/c29-24-14-20(34-16-19-13-21(34)15-32-19)4-5-23(24)25-8-11-31-28-26(18-2-1-3-22(36)12-18)27(33-35(25)28)17-6-9-30-10-7-17/h1-12,14,19,21,32,36H,13,15-16H2/t19-,21-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50025947
PNG
(CHEMBL1088438)
Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1Cl)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1
Show InChI InChI=1S/C28H23ClN6O/c29-24-14-20(34-16-19-13-21(34)15-32-19)4-5-23(24)25-8-11-31-28-26(18-2-1-3-22(36)12-18)27(33-35(25)28)17-6-9-30-10-7-17/h1-12,14,19,21,32,36H,13,15-16H2/t19-,21-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50025938
PNG
(CHEMBL1088439)
Show SMILES Oc1cc(ccc1F)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1
Show InChI InChI=1S/C28H23FN6O/c29-23-6-3-19(13-25(23)36)26-27(18-7-10-30-11-8-18)33-35-24(9-12-31-28(26)35)17-1-4-21(5-2-17)34-16-20-14-22(34)15-32-20/h1-13,20,22,32,36H,14-16H2/t20-,22-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026023
PNG
(CHEMBL1080931)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(Cl)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1
Show InChI InChI=1S/C29H25ClN6O/c1-34-16-22-14-21(34)17-35(22)20-5-6-24(25(30)15-20)26-9-12-32-29-27(19-3-2-4-23(37)13-19)28(33-36(26)29)18-7-10-31-11-8-18/h2-13,15,21-22,37H,14,16-17H2,1H3/t21-,22-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026022
PNG
(CHEMBL1081283)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c(O)c1
Show InChI InChI=1S/C29H25FN6O/c1-34-16-23-15-22(34)17-35(23)21-5-2-18(3-6-21)25-10-13-32-29-27(20-4-7-24(30)26(37)14-20)28(33-36(25)29)19-8-11-31-12-9-19/h2-14,22-23,37H,15-17H2,1H3/t22-,23-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026210
PNG
(CHEMBL1276196)
Show SMILES Fc1cc(cc(F)c1-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12)N1C[C@@H]2C[C@H]1CN2C1CCC1
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n/an/a<0.320n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026030
PNG
(CHEMBL1080833)
Show SMILES CN1C2CCC1CN(C2)c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(Cl)c(O)c1
Show InChI InChI=1S/C30H27ClN6O/c1-35-23-7-8-24(35)18-36(17-23)22-5-2-19(3-6-22)26-12-15-33-30-28(21-4-9-25(31)27(38)16-21)29(34-37(26)30)20-10-13-32-14-11-20/h2-6,9-16,23-24,38H,7-8,17-18H2,1H3
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026206
PNG
(CHEMBL1276195)
Show SMILES CC(C)CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
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n/an/a<0.320n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026211
PNG
(CHEMBL1276184)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(C)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12
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n/an/a<0.320n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026205
PNG
(CHEMBL1276194)
Show SMILES CC(C)N1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
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n/an/a<0.320n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026209
PNG
(CHEMBL1276171)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(Br)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
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n/an/a<0.320n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026028
PNG
(CHEMBL1087001)
Show SMILES Cc1cc(ccc1-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1)N1C[C@@H]2C[C@H]1CN2
Show InChI InChI=1S/C29H26N6O/c1-18-13-22(34-17-21-15-23(34)16-32-21)5-6-25(18)26-9-12-31-29-27(20-3-2-4-24(36)14-20)28(33-35(26)29)19-7-10-30-11-8-19/h2-14,21,23,32,36H,15-17H2,1H3/t21-,23-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6474
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1C
Show InChI InChI=1S/C29H29ClN4O4/c1-18-10-23(30)25(15-26(18)35-2)33-29-21(16-31)17-32-24-12-20-14-28(27(36-3)13-19(20)11-22(24)29)38-9-6-34-4-7-37-8-5-34/h10-15,17H,4-9H2,1-3H3,(H,32,33)
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n/an/a 0.330n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330923
PNG
(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-te...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1c(F)c(F)c(c(F)c1F)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C30H22F4N8/c1-40-13-17-11-16(40)14-41(17)29-26(33)24(31)23(25(32)27(29)34)21-7-10-36-30-22(18-3-2-4-20-19(18)12-37-38-20)28(39-42(21)30)15-5-8-35-9-6-15/h2-10,12,16-17H,11,13-14H2,1H3,(H,37,38)/t16-,17-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330922
PNG
(7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyc...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(cc1F)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C30H24F2N8/c1-38-15-19-11-18(38)16-39(19)27-13-23(31)21(12-24(27)32)26-7-10-34-30-28(20-3-2-4-25-22(20)14-35-36-25)29(37-40(26)30)17-5-8-33-9-6-17/h2-10,12-14,18-19H,11,15-16H2,1H3,(H,35,36)/t18-,19-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50303121
PNG
(CHEMBL585144 | ethyl 3-(3-(7-chloro-1H-indazol-4-y...)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(Cl)c2[nH]ncc12
Show InChI InChI=1S/C28H26ClN7O2/c1-2-38-28(37)35-18-3-4-19(35)14-17(13-18)23-9-12-31-27-24(20-5-6-22(29)26-21(20)15-32-33-26)25(34-36(23)27)16-7-10-30-11-8-16/h5-12,15,17-19H,2-4,13-14H2,1H3,(H,32,33)
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 19: 6957-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.058
BindingDB Entry DOI: 10.7270/Q2833S34
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50303098
PNG
(5-(7-(8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-...)
Show SMILES Oc1cc(ccc1Cl)-c1c(nn2c(ccnc12)C1CC2CCC(C1)N2)-c1ccncc1
Show InChI InChI=1S/C24H22ClN5O/c25-19-4-1-15(13-21(19)31)22-23(14-5-8-26-9-6-14)29-30-20(7-10-27-24(22)30)16-11-17-2-3-18(12-16)28-17/h1,4-10,13,16-18,28,31H,2-3,11-12H2
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 19: 6957-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.058
BindingDB Entry DOI: 10.7270/Q2833S34
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50303123
PNG
(CHEMBL570681 | ethyl 3-(3-(7-fluoro-1H-indazol-4-y...)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12
Show InChI InChI=1S/C28H26FN7O2/c1-2-38-28(37)35-18-3-4-19(35)14-17(13-18)23-9-12-31-27-24(20-5-6-22(29)26-21(20)15-32-33-26)25(34-36(23)27)16-7-10-30-11-8-16/h5-12,15,17-19H,2-4,13-14H2,1H3,(H,32,33)
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 19: 6957-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.058
BindingDB Entry DOI: 10.7270/Q2833S34
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330921
PNG
((1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)...)
Show SMILES CN1C[C@@H]2CC[C@H]1CN2c1ccc(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C31H27FN8/c1-38-17-22-6-5-21(38)18-39(22)20-7-8-24(26(32)15-20)28-11-14-34-31-29(23-3-2-4-27-25(23)16-35-36-27)30(37-40(28)31)19-9-12-33-13-10-19/h2-4,7-16,21-22H,5-6,17-18H2,1H3,(H,35,36)/t21-,22-/m0/s1
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n/an/a 0.410n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50311989
PNG
(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-...)
Show SMILES COc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1F)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1
Show InChI InChI=1S/C29H25FN6O/c1-37-23-4-2-3-19(13-23)27-28(18-7-10-31-11-8-18)34-36-26(9-12-32-29(27)36)24-6-5-21(15-25(24)30)35-17-20-14-22(35)16-33-20/h2-13,15,20,22,33H,14,16-17H2,1H3/t20-,22-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6471
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H26Cl2N4O4/c1-35-25-14-24(21(29)13-22(25)30)33-28-19(15-31)16-32-23-10-18-12-27(26(36-2)11-17(18)9-20(23)28)38-8-5-34-3-6-37-7-4-34/h9-14,16H,3-8H2,1-2H3,(H,32,33)
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n/an/a 0.460n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6476
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1F
Show InChI InChI=1S/C28H26ClFN4O4/c1-35-25-14-24(21(29)13-22(25)30)33-28-19(15-31)16-32-23-10-18-12-27(26(36-2)11-17(18)9-20(23)28)38-8-5-34-3-6-37-7-4-34/h9-14,16H,3-8H2,1-2H3,(H,32,33)
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n/an/a 0.480n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50311984
PNG
(3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-y...)
Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1
Show InChI InChI=1S/C28H24N6O/c35-24-3-1-2-20(14-24)26-27(19-8-11-29-12-9-19)32-34-25(10-13-30-28(26)34)18-4-6-22(7-5-18)33-17-21-15-23(33)16-31-21/h1-14,21,23,31,35H,15-17H2/t21-,23-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330920
PNG
(3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methy...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c2[nH]ncc12
Show InChI InChI=1S/C30H25FN8/c1-37-16-22-14-21(37)17-38(22)20-4-2-18(3-5-20)26-10-13-33-30-27(23-6-7-25(31)29-24(23)15-34-35-29)28(36-39(26)30)19-8-11-32-12-9-19/h2-13,15,21-22H,14,16-17H2,1H3,(H,34,35)/t21-,22-/m0/s1
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50311987
PNG
(1-((1S,4S)-5-(4-(3-(4-fluoro-3-hydroxyphenyl)-2-(p...)
Show SMILES CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c(O)c1
Show InChI InChI=1S/C30H25FN6O2/c1-18(38)35-16-24-15-23(35)17-36(24)22-5-2-19(3-6-22)26-10-13-33-30-28(21-4-7-25(31)27(39)14-21)29(34-37(26)30)20-8-11-32-12-9-20/h2-14,23-24,39H,15-17H2,1H3/t23-,24-/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50303100
PNG
(2-chloro-5-(7-(8-ethyl-8-azabicyclo[3.2.1]octan-3-...)
Show SMILES CCN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(Cl)c(O)c1
Show InChI InChI=1S/C26H26ClN5O/c1-2-31-19-4-5-20(31)14-18(13-19)22-9-12-29-26-24(17-3-6-21(27)23(33)15-17)25(30-32(22)26)16-7-10-28-11-8-16/h3,6-12,15,18-20,33H,2,4-5,13-14H2,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 19: 6957-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.058
BindingDB Entry DOI: 10.7270/Q2833S34
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330919
PNG
(3-(1H-indazol-4-yl)-7-(2-methyl-4-((1S,4S)-5-methy...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(C)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C31H28N8/c1-19-14-21(38-18-22-15-23(38)17-37(22)2)6-7-24(19)28-10-13-33-31-29(25-4-3-5-27-26(25)16-34-35-27)30(36-39(28)31)20-8-11-32-12-9-20/h3-14,16,22-23H,15,17-18H2,1-2H3,(H,34,35)/t22-,23-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50311986
PNG
(5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]he...)
Show SMILES CCN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(F)c(O)c1
Show InChI InChI=1S/C30H27FN6O/c1-2-35-17-24-16-23(35)18-36(24)22-6-3-19(4-7-22)26-11-14-33-30-28(21-5-8-25(31)27(38)15-21)29(34-37(26)30)20-9-12-32-13-10-20/h3-15,23-24,38H,2,16-18H2,1H3/t23-,24-/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330918
PNG
((1R,4R)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)...)
Show SMILES Fc1cc(CN2C[C@H]3C[C@@H]2CO3)ccc1-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C30H24FN7O/c31-25-12-18(15-37-16-21-13-20(37)17-39-21)4-5-23(25)27-8-11-33-30-28(22-2-1-3-26-24(22)14-34-35-26)29(36-38(27)30)19-6-9-32-10-7-19/h1-12,14,20-21H,13,15-17H2,(H,34,35)/t20-,21-/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6475
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1C
Show InChI InChI=1S/C30H31ClN4O4/c1-18-10-24(31)26(15-27(18)37-2)34-30-21(16-32)17-33-25-12-20-14-29(28(38-3)13-19(20)11-23(25)30)39-9-8-35-6-4-22(36)5-7-35/h10-15,17,22,36H,4-9H2,1-3H3,(H,33,34)
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n/an/a 0.550n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50303131
PNG
(2-chloro-5-[13-(hydroxymethyl)-15-methyl-5-(pyridi...)
Show SMILES CN1C2Cc3cnc4c(c(nn4c3C1CC2CO)-c1ccncc1)-c1ccc(Cl)c(O)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-29-18-8-15-11-27-24-21(14-2-3-17(25)20(32)10-14)22(13-4-6-26-7-5-13)28-30(24)23(15)19(29)9-16(18)12-31/h2-7,10-11,16,18-19,31-32H,8-9,12H2,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 19: 6957-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.058
BindingDB Entry DOI: 10.7270/Q2833S34
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330917
PNG
(7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyc...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(F)c1F)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C30H24F2N8/c1-38-15-19-13-18(38)16-39(19)25-6-5-21(27(31)28(25)32)24-9-12-34-30-26(20-3-2-4-23-22(20)14-35-36-23)29(37-40(24)30)17-7-10-33-11-8-17/h2-12,14,18-19H,13,15-16H2,1H3,(H,35,36)/t18-,19-/m0/s1
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n/an/a 0.610n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50303127
PNG
(CHEMBL583133 | ethyl 3-(3-(7-methyl-1H-indazol-4-y...)
Show SMILES CCOC(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(C)c2[nH]ncc12
Show InChI InChI=1S/C29H29N7O2/c1-3-38-29(37)35-20-5-6-21(35)15-19(14-20)24-10-13-31-28-25(22-7-4-17(2)26-23(22)16-32-33-26)27(34-36(24)28)18-8-11-30-12-9-18/h4,7-13,16,19-21H,3,5-6,14-15H2,1-2H3,(H,32,33)
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n/an/a 0.700n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 19: 6957-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.058
BindingDB Entry DOI: 10.7270/Q2833S34
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50330916
PNG
((1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)...)
Show SMILES CN1C[C@@H]2CC[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C31H28N8/c1-37-18-24-10-9-23(37)19-38(24)22-7-5-20(6-8-22)28-13-16-33-31-29(25-3-2-4-27-26(25)17-34-35-27)30(36-39(28)31)21-11-14-32-15-12-21/h2-8,11-17,23-24H,9-10,18-19H2,1H3,(H,34,35)/t23-,24-/m0/s1
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRAF


J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6473
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H28Cl2N4O4/c1-37-26-14-25(22(30)13-23(26)31)34-29-19(15-32)16-33-24-10-18-12-28(27(38-2)11-17(18)9-21(24)29)39-8-7-35-5-3-20(36)4-6-35/h9-14,16,20,36H,3-8H2,1-2H3,(H,33,34)
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n/an/a 0.720n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
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