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Compile Data Set for Download or QSAR

Found 285 hits with Last Name = 'mersal' and Initial = 'ki'   
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))
BDBM50585092
PNG
(CHEMBL5087577)
Show SMILES CN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O
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n/an/a 0.0700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50457446
PNG
(CHEMBL4212692)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC)CC1 |(23.77,-37.37,;22.26,-37.06,;21.77,-35.6,;20.26,-35.29,;19.86,-36.78,;18.77,-35.69,;19.78,-33.84,;18.27,-33.53,;17.24,-34.69,;15.73,-34.38,;15.25,-32.92,;13.74,-32.6,;16.28,-31.77,;17.78,-32.07,;18.8,-30.92,;15.79,-30.31,;16.69,-29.06,;15.78,-27.82,;16.25,-26.36,;17.75,-26.03,;18.22,-24.57,;17.18,-23.43,;15.67,-23.76,;15.21,-25.23,;14.32,-28.3,;12.98,-27.54,;11.65,-28.31,;11.65,-29.85,;12.98,-30.63,;14.33,-29.85,;10.32,-27.54,;10.32,-26,;8.99,-28.31,;7.65,-27.54,;6.32,-28.3,;6.32,-29.84,;4.98,-30.61,;3.65,-29.83,;7.65,-30.62,;8.99,-29.85,)|
Show InChI InChI=1S/C28H33F2N7O2S/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3
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n/an/a 0.400n/an/an/an/an/an/a



National Research Centre (NRC ID: 60014618)

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115493
BindingDB Entry DOI: 10.7270/Q2VX0M3G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127478
BindingDB Entry DOI: 10.7270/Q2862M5M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585081
PNG
(CHEMBL5086749)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1
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n/an/a 0.980n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM435721
PNG
(US10570155, Compound 25III | US11332479, Compound ...)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1
Show InChI InChI=1S/C23H19FN6O3S2/c24-16-4-6-18(7-5-16)35(32,33)27-11-10-26-22-25-9-8-19(28-22)21-20(15-2-1-3-17(31)14-15)29-23-30(21)12-13-34-23/h1-9,12-14,27,31H,10-11H2,(H,25,26,28)
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585092
PNG
(CHEMBL5087577)
Show SMILES CN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50560548
PNG
(CHEMBL4795335)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCCNc1nccc(n1)-c1c(nc2sccn12)-c1cccc(N)c1
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127478
BindingDB Entry DOI: 10.7270/Q2862M5M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585085
PNG
(CHEMBL5080553)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCN(C)S2(=O)=O)n1
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585095
PNG
(CHEMBL5079413)
Show SMILES CN1CCCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585092
PNG
(CHEMBL5087577)
Show SMILES CN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O
PDB
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TBA

Assay Description
Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585088
PNG
(CHEMBL5073246)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCCN(C)S2(=O)=O)n1
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585085
PNG
(CHEMBL5080553)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCN(C)S2(=O)=O)n1
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50563431
PNG
(CHEMBL4793723)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)c(O)c1)-c1ccccc1
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin) using Ser/Thr 03 as substrate after 1 hr in presence of ATP by Z'-LYTE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585088
PNG
(CHEMBL5073246)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCCN(C)S2(=O)=O)n1
PDB
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM435721
PNG
(US10570155, Compound 25III | US11332479, Compound ...)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1
Show InChI InChI=1S/C23H19FN6O3S2/c24-16-4-6-18(7-5-16)35(32,33)27-11-10-26-22-25-9-8-19(28-22)21-20(15-2-1-3-17(31)14-15)29-23-30(21)12-13-34-23/h1-9,12-14,27,31H,10-11H2,(H,25,26,28)
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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585095
PNG
(CHEMBL5079413)
Show SMILES CN1CCCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O
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n/an/a 3.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585093
PNG
(CHEMBL5092329)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCN(Cc3ccccc3)S2(=O)=O)n1
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM221688
PNG
(US10568884, Cpd 9 | US9314464, 9 | US9593100, Comp...)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C |r|
Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50563437
PNG
(Arry-614 | Pexmetinib)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(F)ccc1Oc1ccc2n(CCO)ncc2c1)C(C)(C)C
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p38 alpha (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM221688
PNG
(US10568884, Cpd 9 | US9314464, 9 | US9593100, Comp...)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C |r|
Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



National Research Centre (NRC ID: 60014618)

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115493
BindingDB Entry DOI: 10.7270/Q2VX0M3G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585081
PNG
(CHEMBL5086749)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585094
PNG
(CHEMBL5088891)
Show SMILES CC1(C)CN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S(=O)(=O)N1
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n/an/a 4.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585086
PNG
(CHEMBL5088157)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCN(Cc3ccccc3)S2(=O)=O)n1
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TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50563432
PNG
(CHEMBL4797100)
Show SMILES Oc1cc(ccc1Cl)-c1nc([nH]c1-c1ccnc(NCCCNS(=O)(=O)c2ccccc2)n1)-c1ccccc1
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n/an/a 4.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin) using Ser/Thr 03 as substrate after 1 hr in presence of ATP by Z'-LYTE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50560555
PNG
(CHEMBL4745503)
Show SMILES Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCCNS(=O)(=O)c2ccc(Br)cc2)n1
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n/an/a 4.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127478
BindingDB Entry DOI: 10.7270/Q2862M5M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585096
PNG
(CHEMBL5076688)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCNS2(=O)=O)n1
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585081
PNG
(CHEMBL5086749)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585097
PNG
(CHEMBL5079502)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCCNS2(=O)=O)n1
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50563427
PNG
(CHEMBL4758203)
Show SMILES Oc1cc(ccc1F)-c1nc([nH]c1-c1ccnc(NCCCNS(=O)(=O)c2ccccc2)n1)-c1ccccc1
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n/an/a 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin) using Ser/Thr 03 as substrate after 1 hr in presence of ATP by Z'-LYTE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585087
PNG
(CHEMBL5092112)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CC(C)(C)NS2(=O)=O)n1
PDB
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n/an/a 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585089
PNG
(CHEMBL5075811)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCNS2(=O)=O)n1
PDB
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n/an/a 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM435721
PNG
(US10570155, Compound 25III | US11332479, Compound ...)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1
Show InChI InChI=1S/C23H19FN6O3S2/c24-16-4-6-18(7-5-16)35(32,33)27-11-10-26-22-25-9-8-19(28-22)21-20(15-2-1-3-17(31)14-15)29-23-30(21)12-13-34-23/h1-9,12-14,27,31H,10-11H2,(H,25,26,28)
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585085
PNG
(CHEMBL5080553)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCN(C)S2(=O)=O)n1
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n/an/a 6.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50560559
PNG
(CHEMBL4753878)
Show SMILES Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCCNS(=O)(=O)c2ccc(F)cc2)n1
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127478
BindingDB Entry DOI: 10.7270/Q2862M5M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585095
PNG
(CHEMBL5079413)
Show SMILES CN1CCCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585096
PNG
(CHEMBL5076688)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCNS2(=O)=O)n1
PDB
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585094
PNG
(CHEMBL5088891)
Show SMILES CC1(C)CN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S(=O)(=O)N1
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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | D3RKN_11 | N-[4-(2-Ethyl-4-m-tolyl-...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a 7.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p38 alpha (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585097
PNG
(CHEMBL5079502)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCCNS2(=O)=O)n1
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n/an/a 7.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50585090
PNG
(CHEMBL5089022)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCCNS2(=O)=O)n1
PDB
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n/an/a 7.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585093
PNG
(CHEMBL5092329)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCN(Cc3ccccc3)S2(=O)=O)n1
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n/an/a 7.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585096
PNG
(CHEMBL5076688)
Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCNS2(=O)=O)n1
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n/an/a 7.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50563436
PNG
(CHEMBL4741154)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(Cl)c(O)c1)-c1ccccc1
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n/an/a 7.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin) using Ser/Thr 03 as substrate after 1 hr in presence of ATP by Z'-LYTE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50563435
PNG
(CHEMBL4763666)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(Cl)c(O)c1)-c1ccccc1
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin) using Ser/Thr 03 as substrate after 1 hr in presence of ATP by Z'-LYTE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585088
PNG
(CHEMBL5073246)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCCN(C)S2(=O)=O)n1
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585086
PNG
(CHEMBL5088157)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CCN(Cc3ccccc3)S2(=O)=O)n1
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n/an/a 8.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50563430
PNG
(CHEMBL4779919)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)c(O)c1)-c1ccccc1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRAF V600E mutant (unknown origin) using Ser/Thr 03 as substrate after 1 hr in presence of ATP by Z'-LYTE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113277
BindingDB Entry DOI: 10.7270/Q2VX0M8Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585087
PNG
(CHEMBL5092112)
Show SMILES COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCN2CC(C)(C)NS2(=O)=O)n1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50585082
PNG
(CHEMBL5077391)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCNc1nccc(n1)-c1c(nc2sccn12)-c1cccc(O)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00230
BindingDB Entry DOI: 10.7270/Q2RV0SMN
More data for this
Ligand-Target Pair
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