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PubMed code 21536432

Compile data set for download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
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))
BDBM50344470
PNG
(6-(1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-4-...)
Show SMILES C1CC2CC(CC1N2)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C25H24N6/c1-4-22-17(10-18-13-27-29-24(18)22)9-16(1)23-14-31(21-11-19-2-3-20(12-21)28-19)30-25(23)15-5-7-26-8-6-15/h1,4-9,13-14,19-21,28H,2-3,10-12H2,(H,27,29)
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n/an/a 0.570n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344473
PNG
(CHEMBL1780170 | trans-4-(4-(2,4-dihydroindeno[1,2-...)
Show SMILES N[C@H]1CC[C@@H](CC1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r,wU:4.7,wD:1.0,(6.31,.76,;4.77,.77,;4.01,2.11,;2.46,2.11,;1.7,.78,;2.46,-.56,;3.99,-.56,;.16,.79,;-.74,2.03,;-2.21,1.56,;-2.21,.02,;-.74,-.46,;-3.46,-.88,;-4.79,-.12,;-6.12,-.89,;-6.12,-2.43,;-4.79,-3.2,;-3.45,-2.43,;-3.53,2.33,;-3.52,3.87,;-4.85,4.64,;-6.19,3.88,;-6.19,2.33,;-7.66,1.85,;-8.57,3.1,;-10.04,3.56,;-10.05,5.11,;-8.59,5.6,;-7.67,4.35,;-4.86,1.56,)|
Show InChI InChI=1S/C24H24N6/c25-19-2-4-20(5-3-19)30-14-22(24(29-30)15-7-9-26-10-8-15)16-1-6-21-17(11-16)12-18-13-27-28-23(18)21/h1,6-11,13-14,19-20H,2-5,12,25H2,(H,27,28)/t19-,20-
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n/an/a 0.660n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344483
PNG
(6-(1-((3S,4S)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21-/m0/s1
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n/an/a 1.25n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344480
PNG
(6-(1-((3R,4R)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344480
PNG
(6-(1-((3R,4R)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344464
PNG
(6-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)napht...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C19H15N3O/c1-22-12-17(19(21-22)13-7-9-20-10-8-13)15-5-6-16-14(11-15)3-2-4-18(16)23/h2-12,23H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344476
PNG
(CHEMBL1780173 | cis-(1R,3S)-3-(4-(2,4-dihydroinden...)
Show SMILES O[C@@H]1CCC[C@@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C24H23N5O/c30-20-3-1-2-19(12-20)29-14-22(24(28-29)15-6-8-25-9-7-15)16-4-5-21-17(10-16)11-18-13-26-27-23(18)21/h4-10,13-14,19-20,30H,1-3,11-12H2,(H,26,27)/t19-,20+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344468
PNG
(6-(1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C23H22N6/c1-2-20-17(12-18-13-26-27-22(18)20)11-16(1)21-14-29(19-5-9-25-10-6-19)28-23(21)15-3-7-24-8-4-15/h1-4,7-8,11,13-14,19,25H,5-6,9-10,12H2,(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344482
PNG
(6-(1-((3R,4S)-4-fluoropiperidin-3-yl)-3-(pyridin-4...)
Show SMILES F[C@H]1CCNC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-5-8-26-12-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21+/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344472
PNG
(6-(1-(azepan-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-y...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CCCNCC1
Show InChI InChI=1S/C24H24N6/c1-2-20(7-11-25-8-1)30-15-22(24(29-30)16-5-9-26-10-6-16)17-3-4-21-18(12-17)13-19-14-27-28-23(19)21/h3-6,9-10,12,14-15,20,25H,1-2,7-8,11,13H2,(H,27,28)
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n/an/a 3.20n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344471
PNG
(6-(1-(piperidin-3-yl)-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CCCNC1
Show InChI InChI=1S/C23H22N6/c1-2-19(13-25-7-1)29-14-21(23(28-29)15-5-8-24-9-6-15)16-3-4-20-17(10-16)11-18-12-26-27-22(18)20/h3-6,8-10,12,14,19,25H,1-2,7,11,13H2,(H,26,27)
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n/an/a 3.70n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344481
PNG
(6-(1-((3S,4R)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21+/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344477
PNG
(6-(1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,4-...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C24H17N5/c1-2-4-20(5-3-1)29-15-22(24(28-29)16-8-10-25-11-9-16)17-6-7-21-18(12-17)13-19-14-26-27-23(19)21/h1-12,14-15H,13H2,(H,26,27)
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n/an/a 4.60n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344478
PNG
((3R,4R)-4-(4-(2,4-dihydroindeno[1,2-c]pyrazol-6-yl...)
Show SMILES O[C@@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H22N6O/c30-21-12-25-8-5-20(21)29-13-19(23(28-29)14-3-6-24-7-4-14)15-1-2-18-16(9-15)10-17-11-26-27-22(17)18/h1-4,6-7,9,11,13,20-21,25,30H,5,8,10,12H2,(H,26,27)/t20-,21-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344479
PNG
(7-(4-(2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-3-(pyr...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CC2COCC(C1)N2
Show InChI InChI=1S/C25H24N6O/c1-2-22-17(8-18-11-27-29-24(18)22)7-16(1)23-12-31(30-25(23)15-3-5-26-6-4-15)21-9-19-13-32-14-20(10-21)28-19/h1-7,11-12,19-21,28H,8-10,13-14H2,(H,27,29)
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n/an/a 5n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM25652
PNG
(4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]...)
Show SMILES Cc1c[nH]nc1-c1ccc(cc1)-c1cn(C)nc1-c1ccncc1
Show InChI InChI=1S/C19H17N5/c1-13-11-21-22-18(13)15-5-3-14(4-6-15)17-12-24(2)23-19(17)16-7-9-20-10-8-16/h3-12H,1-2H3,(H,21,22)
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n/an/a 7n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344469
PNG
(6-(1-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl)-1H-...)
Show SMILES CN1CCC(CC1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C24H24N6/c1-29-10-6-20(7-11-29)30-15-22(24(28-30)16-4-8-25-9-5-16)17-2-3-21-18(12-17)13-19-14-26-27-23(19)21/h2-5,8-9,12,14-15,20H,6-7,10-11,13H2,1H3,(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344455
PNG
(6-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,8-...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2c(cc3[nH][nH]nc23)c1
Show InChI InChI=1S/C18H14N6/c1-24-10-15(17(22-24)11-4-6-19-7-5-11)12-2-3-14-13(8-12)9-16-18(14)21-23-20-16/h2-10,20,23H,1H3
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n/an/a 11n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344474
PNG
(CHEMBL1780171 | cis-4-(4-(2,4-dihydroindeno[1,2-c]...)
Show SMILES N[C@H]1CC[C@H](CC1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r,wD:4.7,1.0,(30.59,1.1,;29.05,1.11,;28.29,2.45,;26.74,2.46,;25.98,1.13,;26.74,-.21,;28.27,-.22,;24.44,1.13,;23.54,2.37,;22.07,1.9,;22.07,.37,;23.54,-.12,;20.82,-.54,;19.49,.23,;18.16,-.54,;18.16,-2.09,;19.49,-2.86,;20.83,-2.09,;20.74,2.68,;20.76,4.21,;19.43,4.99,;18.09,4.22,;18.09,2.67,;16.62,2.19,;15.71,3.44,;14.24,3.91,;14.23,5.45,;15.69,5.94,;16.61,4.69,;19.42,1.91,)|
Show InChI InChI=1S/C24H24N6/c25-19-2-4-20(5-3-19)30-14-22(24(29-30)15-7-9-26-10-8-15)16-1-6-21-17(11-16)12-18-13-27-28-23(18)21/h1,6-11,13-14,19-20H,2-5,12,25H2,(H,27,28)/t19-,20+
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n/an/a 22.9n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344453
PNG
(7-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-4,5-...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2-c3n[nH]cc3CCc2c1
Show InChI InChI=1S/C20H17N5/c1-25-12-18(20(24-25)13-6-8-21-9-7-13)15-4-5-17-14(10-15)2-3-16-11-22-23-19(16)17/h4-12H,2-3H2,1H3,(H,22,23)
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n/an/a 23n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344456
PNG
(4-(4-(4-(2H-1,2,3-triazol-4-yl)phenyl)-1-methyl-1H...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C17H14N6/c1-23-11-15(17(21-23)14-6-8-18-9-7-14)12-2-4-13(5-3-12)16-10-19-22-20-16/h2-11H,1H3,(H,19,20,22)
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n/an/a 55n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM25651
PNG
(4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyraz...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C18H15N5/c1-23-12-16(18(22-23)15-6-9-19-10-7-15)13-2-4-14(5-3-13)17-8-11-20-21-17/h2-12H,1H3,(H,20,21)
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n/an/a 68n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344475
PNG
(2-(4-(2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-3-(pyr...)
Show SMILES CNCCn1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C21H20N6/c1-22-8-9-27-13-19(21(26-27)14-4-6-23-7-5-14)15-2-3-18-16(10-15)11-17-12-24-25-20(17)18/h2-7,10,12-13,22H,8-9,11H2,1H3,(H,24,25)
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n/an/a 72.5n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344465
PNG
(6-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)napht...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C19H15N3O/c1-22-12-18(19(21-22)13-6-8-20-9-7-13)16-3-2-15-11-17(23)5-4-14(15)10-16/h2-12,23H,1H3
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n/an/a 77n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM25654
PNG
(5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C17H14N4O/c1-21-10-15(16(20-21)11-4-6-18-7-5-11)12-2-3-14-13(8-12)9-19-17(14)22/h2-8,10H,9H2,1H3,(H,19,22)
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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


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM25655
PNG
(6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-i...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-4-6-17-7-5-11)12-2-3-13-9-18-19-15(13)8-12/h2-10H,1H3,(H,18,19)
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n/an/a 139n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344468
PNG
(6-(1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C23H22N6/c1-2-20-17(12-18-13-26-27-22(18)20)11-16(1)21-14-29(19-5-9-25-10-6-19)28-23(21)15-3-7-24-8-4-15/h1-4,7-8,11,13-14,19,25H,5-6,9-10,12H2,(H,26,27)
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n/an/a 230n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344470
PNG
(6-(1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-4-...)
Show SMILES C1CC2CC(CC1N2)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C25H24N6/c1-4-22-17(10-18-13-27-29-24(18)22)9-16(1)23-14-31(21-11-19-2-3-20(12-21)28-19)30-25(23)15-5-7-26-8-6-15/h1,4-9,13-14,19-21,28H,2-3,10-12H2,(H,27,29)
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n/an/a 262n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344463
PNG
(6-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-1H-i...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C17H14N4/c1-21-11-15(17(20-21)13-4-7-18-8-5-13)14-3-2-12-6-9-19-16(12)10-14/h2-11,19H,1H3
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n/an/a 328n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344473
PNG
(CHEMBL1780170 | trans-4-(4-(2,4-dihydroindeno[1,2-...)
Show SMILES N[C@H]1CC[C@@H](CC1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r,wU:4.7,wD:1.0,(6.31,.76,;4.77,.77,;4.01,2.11,;2.46,2.11,;1.7,.78,;2.46,-.56,;3.99,-.56,;.16,.79,;-.74,2.03,;-2.21,1.56,;-2.21,.02,;-.74,-.46,;-3.46,-.88,;-4.79,-.12,;-6.12,-.89,;-6.12,-2.43,;-4.79,-3.2,;-3.45,-2.43,;-3.53,2.33,;-3.52,3.87,;-4.85,4.64,;-6.19,3.88,;-6.19,2.33,;-7.66,1.85,;-8.57,3.1,;-10.04,3.56,;-10.05,5.11,;-8.59,5.6,;-7.67,4.35,;-4.86,1.56,)|
Show InChI InChI=1S/C24H24N6/c25-19-2-4-20(5-3-19)30-14-22(24(29-30)15-7-9-26-10-8-15)16-1-6-21-17(11-16)12-18-13-27-28-23(18)21/h1,6-11,13-14,19-20H,2-5,12,25H2,(H,27,28)/t19-,20-
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n/an/a 396n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344481
PNG
(6-(1-((3S,4R)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21+/m0/s1
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n/an/a 407n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344460
PNG
(4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-1H-i...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-5-7-17-8-6-11)12-3-2-4-15-13(12)9-18-19-15/h2-10H,1H3,(H,18,19)
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n/an/a 468n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344476
PNG
(CHEMBL1780173 | cis-(1R,3S)-3-(4-(2,4-dihydroinden...)
Show SMILES O[C@@H]1CCC[C@@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C24H23N5O/c30-20-3-1-2-19(12-20)29-14-22(24(28-29)15-6-8-25-9-7-15)16-4-5-21-17(10-16)11-18-13-26-27-23(18)21/h4-10,13-14,19-20,30H,1-3,11-12H2,(H,26,27)/t19-,20+/m0/s1
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n/an/a 607n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344479
PNG
(7-(4-(2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-3-(pyr...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CC2COCC(C1)N2
Show InChI InChI=1S/C25H24N6O/c1-2-22-17(8-18-11-27-29-24(18)22)7-16(1)23-12-31(30-25(23)15-3-5-26-6-4-15)21-9-19-13-32-14-20(10-21)28-19/h1-7,11-12,19-21,28H,8-10,13-14H2,(H,27,29)
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n/an/a 619n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344458
PNG
(CHEMBL1780155 | N-methyl-4-(1-methyl-3-(pyridin-4-...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cn(C)nc1-c1ccncc1
Show InChI InChI=1S/C17H16N4O/c1-18-17(22)14-5-3-12(4-6-14)15-11-21(2)20-16(15)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,18,22)
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n/an/a 647n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344483
PNG
(6-(1-((3S,4S)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21-/m0/s1
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n/an/a 672n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344480
PNG
(6-(1-((3R,4R)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344480
PNG
(6-(1-((3R,4R)-3-fluoropiperidin-4-yl)-3-(pyridin-4...)
Show SMILES F[C@@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-12-26-8-5-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344457
PNG
(4-(4-(4-(1H-pyrrol-3-yl)phenyl)-1-methyl-1H-pyrazo...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc(cc1)-c1cc[nH]c1
Show InChI InChI=1S/C19H16N4/c1-23-13-18(19(22-23)16-6-9-20-10-7-16)15-4-2-14(3-5-15)17-8-11-21-12-17/h2-13,21H,1H3
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n/an/a 788n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344462
PNG
(5-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-1H-i...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H14N4/c1-21-11-15(17(20-21)12-4-7-18-8-5-12)13-2-3-16-14(10-13)6-9-19-16/h2-11,19H,1H3
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n/an/a 861n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344469
PNG
(6-(1-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl)-1H-...)
Show SMILES CN1CCC(CC1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C24H24N6/c1-29-10-6-20(7-11-29)30-15-22(24(28-30)16-4-8-25-9-5-16)17-2-3-21-18(12-17)13-19-14-26-27-23(19)21/h2-5,8-9,12,14-15,20H,6-7,10-11,13H2,1H3,(H,26,27)
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n/an/a 886n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344466
PNG
(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine | CHE...)
Show SMILES Cn1cc(N)c(n1)-c1ccncc1
Show InChI InChI=1S/C9H10N4/c1-13-6-8(10)9(12-13)7-2-4-11-5-3-7/h2-6H,10H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344454
PNG
(7-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-4,5-...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2-c3cn[nH]c3CCc2c1
Show InChI InChI=1S/C20H17N5/c1-25-12-18(20(24-25)13-6-8-21-9-7-13)15-2-4-16-14(10-15)3-5-19-17(16)11-22-23-19/h2,4,6-12H,3,5H2,1H3,(H,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344461
PNG
(5-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-1H-i...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-4-6-17-7-5-11)12-2-3-15-13(8-12)9-18-19-15/h2-10H,1H3,(H,18,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344467
PNG
(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-ol | CHEMBL...)
Show SMILES Cn1cc(O)c(n1)-c1ccncc1
Show InChI InChI=1S/C9H9N3O/c1-12-6-8(13)9(11-12)7-2-4-10-5-3-7/h2-6,13H,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344452
PNG
(4-(4-(4-(4-ethyl-1H-pyrazol-3-yl)phenyl)-1-methyl-...)
Show SMILES CCc1c[nH]nc1-c1ccc(cc1)-c1cn(C)nc1-c1ccncc1
Show InChI InChI=1S/C20H19N5/c1-3-14-12-22-23-19(14)16-6-4-15(5-7-16)18-13-25(2)24-20(18)17-8-10-21-11-9-17/h4-13H,3H2,1-2H3,(H,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344459
PNG
(4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benze...)
Show SMILES Cn1cc(c(n1)-c1ccncc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-19-10-14(15(18-19)12-6-8-17-9-7-12)11-2-4-13(5-3-11)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344474
PNG
(CHEMBL1780171 | cis-4-(4-(2,4-dihydroindeno[1,2-c]...)
Show SMILES N[C@H]1CC[C@H](CC1)n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r,wD:4.7,1.0,(30.59,1.1,;29.05,1.11,;28.29,2.45,;26.74,2.46,;25.98,1.13,;26.74,-.21,;28.27,-.22,;24.44,1.13,;23.54,2.37,;22.07,1.9,;22.07,.37,;23.54,-.12,;20.82,-.54,;19.49,.23,;18.16,-.54,;18.16,-2.09,;19.49,-2.86,;20.83,-2.09,;20.74,2.68,;20.76,4.21,;19.43,4.99,;18.09,4.22,;18.09,2.67,;16.62,2.19,;15.71,3.44,;14.24,3.91,;14.23,5.45,;15.69,5.94,;16.61,4.69,;19.42,1.91,)|
Show InChI InChI=1S/C24H24N6/c25-19-2-4-20(5-3-19)30-14-22(24(29-30)15-7-9-26-10-8-15)16-1-6-21-17(11-16)12-18-13-27-28-23(18)21/h1,6-11,13-14,19-20H,2-5,12,25H2,(H,27,28)/t19-,20+
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n/an/a 1.52E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344472
PNG
(6-(1-(azepan-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-y...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CCCNCC1
Show InChI InChI=1S/C24H24N6/c1-2-20(7-11-25-8-1)30-15-22(24(29-30)16-5-9-26-10-6-16)17-3-4-21-18(12-17)13-19-14-27-28-23(19)21/h3-6,9-10,12,14-15,20,25H,1-2,7-8,11,13H2,(H,27,28)
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n/an/a 1.54E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344471
PNG
(6-(1-(piperidin-3-yl)-3-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)C1CCCNC1
Show InChI InChI=1S/C23H22N6/c1-2-19(13-25-7-1)29-14-21(23(28-29)15-5-8-24-9-6-15)16-3-4-20-17(10-16)11-18-12-26-27-22(18)20/h3-6,8-10,12,14,19,25H,1-2,7,11,13H2,(H,26,27)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344482
PNG
(6-(1-((3R,4S)-4-fluoropiperidin-3-yl)-3-(pyridin-4...)
Show SMILES F[C@H]1CCNC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H21FN6/c24-20-5-8-26-12-21(20)30-13-19(23(29-30)14-3-6-25-7-4-14)15-1-2-18-16(9-15)10-17-11-27-28-22(17)18/h1-4,6-7,9,11,13,20-21,26H,5,8,10,12H2,(H,27,28)/t20-,21+/m0/s1
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n/an/a 2.12E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344477
PNG
(6-(1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,4-...)
Show SMILES C1c2c[nH]nc2-c2ccc(cc12)-c1cn(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C24H17N5/c1-2-4-20(5-3-1)29-15-22(24(28-29)16-8-10-25-11-9-16)17-6-7-21-18(12-17)13-19-14-26-27-23(19)21/h1-12,14-15H,13H2,(H,26,27)
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n/an/a 4.37E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344478
PNG
((3R,4R)-4-(4-(2,4-dihydroindeno[1,2-c]pyrazol-6-yl...)
Show SMILES O[C@@H]1CNCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1 |r|
Show InChI InChI=1S/C23H22N6O/c30-21-12-25-8-5-20(21)29-13-19(23(28-29)14-3-6-24-7-4-14)15-1-2-18-16(9-15)10-17-11-26-27-22(17)18/h1-4,6-7,9,11,13,20-21,25,30H,5,8,10,12H2,(H,26,27)/t20-,21-/m1/s1
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Article
PubMed
n/an/a 4.87E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50344475
PNG
(2-(4-(2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-3-(pyr...)
Show SMILES CNCCn1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
Show InChI InChI=1S/C21H20N6/c1-22-8-9-27-13-19(21(26-27)14-4-6-23-7-5-14)15-2-3-18-16(10-15)11-17-12-24-25-20(17)18/h2-7,10,12-13,22H,8-9,11H2,1H3,(H,24,25)
PDB
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KEGG

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 8.16E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf-mediated ERK phosphorylation in cell-based assay


Bioorg Med Chem Lett 21: 3488-92 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.038
BindingDB Entry DOI: 10.7270/Q20R9PQ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%