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Compile Data Set for Download or QSAR

Found 254 hits with Last Name = 'amiri' and Initial = 'p'   
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))
BDBM50026685
PNG
(CHEMBL3335373)
Show SMILES CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1
Show InChI InChI=1S/C24H25N5O2/c1-15(2)17-6-5-7-18(12-17)27-24-28-21-13-19(8-9-22(21)29(24)4)31-20-10-11-25-23(14-20)26-16(3)30/h5-15H,1-4H3,(H,27,28)(H,25,26,30)
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n/an/a<0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026695
PNG
(CHEMBL3335372)
Show SMILES CCc1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1
Show InChI InChI=1S/C23H23N5O2/c1-4-16-6-5-7-17(12-16)26-23-27-20-13-18(8-9-21(20)28(23)3)30-19-10-11-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29)
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n/an/a<0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM202784
PNG
(US10245267, Example 131 | US9242969, 131 | US96940...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




J Med Chem 60: 4869-4881 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026678
PNG
(CHEMBL3335374)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(OC(F)(F)F)c4)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O3/c1-13(31)27-20-12-16(8-9-26-20)32-15-6-7-19-18(11-15)29-21(30(19)2)28-14-4-3-5-17(10-14)33-22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31)
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards Coagulation factor X was determined using chromogenic substrate, MeO-COD-CHG-Gly-Arg-pNA


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344548
PNG
(4-(2-(3-tert-butyl phenylamino)benzo[d]oxazol-5-yl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C24H24N4O3/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)31-23)30-18-10-11-26-20(14-18)22(29)25-4/h5-14H,1-4H3,(H,25,29)(H,27,28)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344541
PNG
(4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N...)
Show SMILES CCc1ccc(Nc2nc3cc(Oc4ccnc(c4)C(=O)NC)ccc3o2)cc1
Show InChI InChI=1S/C22H20N4O3/c1-3-14-4-6-15(7-5-14)25-22-26-18-12-16(8-9-20(18)29-22)28-17-10-11-24-19(13-17)21(27)23-2/h4-13H,3H2,1-2H3,(H,23,27)(H,25,26)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26023
PNG
(4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzod...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1
Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(9-10-24-18)29-15-7-8-19-17(11-15)26-21(27(19)2)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26)
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n/an/a 1n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 1n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344540
PNG
(4-(2-(4-isopropylphenylamino)benzo[d]oxazol-5-ylox...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(cc4)C(C)C)nc3c2)ccn1
Show InChI InChI=1S/C23H22N4O3/c1-14(2)15-4-6-16(7-5-15)26-23-27-19-12-17(8-9-21(19)30-23)29-18-10-11-25-20(13-18)22(28)24-3/h4-14H,1-3H3,(H,24,28)(H,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344532
PNG
(4-(2-(3-tert-butylphenylamino)benzo[d]thiazol-5-yl...)
Show SMILES CNC(=O)c1cc(Oc2ccc3sc(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C24H24N4O2S/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)31-23)30-18-10-11-26-20(14-18)22(29)25-4/h5-14H,1-4H3,(H,25,29)(H,27,28)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344525
PNG
(4-(2-(3-tert-butylphenylamino)benzo[d]thiazol-5-yl...)
Show SMILES CC(C)(C)c1cccc(Nc2nc3cc(Oc4ccnc(c4)C(N)=O)ccc3s2)c1
Show InChI InChI=1S/C23H22N4O2S/c1-23(2,3)14-5-4-6-15(11-14)26-22-27-18-12-16(7-8-20(18)30-22)29-17-9-10-25-19(13-17)21(24)28/h4-13H,1-3H3,(H2,24,28)(H,26,27)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50112349
PNG
(CHEMBL3609328)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2ccc(F)cc12 |t:8|
Show InChI InChI=1S/C18H18F2N4/c1-23-6-8-24(9-7-23)18-14-10-12(19)2-4-15(14)21-16-5-3-13(20)11-17(16)22-18/h2-5,10-11,21H,6-9H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human histamine H1 receptor


ACS Med Chem Lett 6: 776-81 (2015)


BindingDB Entry DOI: 10.7270/Q25X2BQS
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Histamine H1 receptor


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50131822
PNG
(CHEMBL3632719)
Show SMILES Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C27H25F3N6O/c1-26(2,3)16-6-5-7-17(12-16)33-25-34-20-13-18(8-9-22(20)36(25)4)37-19-10-11-31-21(14-19)24-32-15-23(35-24)27(28,29)30/h5-15H,1-4H3,(H,32,35)(H,33,34)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Histamine H1 receptor


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026677
PNG
(CHEMBL3335377)
Show SMILES CCc1ccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)cc1
Show InChI InChI=1S/C23H23N5O2/c1-4-16-5-7-17(8-6-16)26-23-27-20-13-18(9-10-21(20)28(23)3)30-19-11-12-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26034
PNG
(4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...)
Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(N)=O)ccc12
Show InChI InChI=1S/C20H16BrN5O2/c1-26-18-7-6-14(28-15-8-9-23-17(11-15)19(22)27)10-16(18)25-20(26)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H2,22,27)(H,24,25)
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Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026683
PNG
(CHEMBL3335379)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(OC(F)(F)F)cc4)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O3/c1-13(31)27-20-12-17(9-10-26-20)32-16-7-8-19-18(11-16)29-21(30(19)2)28-14-3-5-15(6-4-14)33-22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026692
PNG
(CHEMBL3335381)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H17F4N5O2/c1-12(32)28-20-11-15(7-8-27-20)33-14-4-6-19-18(10-14)30-21(31(19)2)29-17-9-13(22(24,25)26)3-5-16(17)23/h3-11H,1-2H3,(H,29,30)(H,27,28,32)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344530
PNG
(4-(2-(4-bromophenylamino)benzo[d]thiazol-5-yloxy)-...)
Show SMILES CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(Br)cc4)nc3c2)ccn1
Show InChI InChI=1S/C20H15BrN4O2S/c1-22-19(26)17-11-15(8-9-23-17)27-14-6-7-18-16(10-14)25-20(28-18)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,26)(H,24,25)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344538
PNG
(CHEMBL1778397 | N-methyl-4-(2-(4-(trifluoromethoxy...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(OC(F)(F)F)cc4)nc3c2)ccn1
Show InChI InChI=1S/C21H15F3N4O4/c1-25-19(29)17-11-15(8-9-26-17)30-14-6-7-18-16(10-14)28-20(31-18)27-12-2-4-13(5-3-12)32-21(22,23)24/h2-11H,1H3,(H,25,29)(H,27,28)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344539
PNG
(4-(2-(4-butylphenylamino)benzo[d]oxazol-5-yloxy)-N...)
Show SMILES CCCCc1ccc(Nc2nc3cc(Oc4ccnc(c4)C(=O)NC)ccc3o2)cc1
Show InChI InChI=1S/C24H24N4O3/c1-3-4-5-16-6-8-17(9-7-16)27-24-28-20-14-18(10-11-22(20)31-24)30-19-12-13-26-21(15-19)23(29)25-2/h6-15H,3-5H2,1-2H3,(H,25,29)(H,27,28)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity towards acetylcholine esterase (AChE)


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026680
PNG
(CHEMBL3335385)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C29H30F4N6O2/c1-17(2)39-12-9-18(10-13-39)27(40)37-26-16-21(8-11-34-26)41-20-5-7-25-24(15-20)36-28(38(25)3)35-23-14-19(29(31,32)33)4-6-22(23)30/h4-8,11,14-18H,9-10,12-13H2,1-3H3,(H,35,36)(H,34,37,40)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM26023
PNG
(4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzod...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1
Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(9-10-24-18)29-15-7-8-19-17(11-15)26-21(27(19)2)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26)
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Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344543
PNG
(4-(2-(3-isopropylphenylamino)benzo[d]oxazol-5-ylox...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(c4)C(C)C)nc3c2)ccn1
Show InChI InChI=1S/C23H22N4O3/c1-14(2)15-5-4-6-16(11-15)26-23-27-19-12-17(7-8-21(19)30-23)29-18-9-10-25-20(13-18)22(28)24-3/h4-14H,1-3H3,(H,24,28)(H,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026694
PNG
(CHEMBL3335375)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O2/c1-13(31)27-20-12-17(8-9-26-20)32-16-6-7-19-18(11-16)29-21(30(19)2)28-15-5-3-4-14(10-15)22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Kappa opioid receptor


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Reduced farnesylation of H-ras transformed NIH3T3 cells


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50026679
PNG
(CHEMBL3335371)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity towards acetylcholine esterase (AChE)


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344527
PNG
(4-(2-(4-isopropylphenylamino)benzo[d]thiazol-5-ylo...)
Show SMILES CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(cc4)C(C)C)nc3c2)ccn1
Show InChI InChI=1S/C23H22N4O2S/c1-14(2)15-4-6-16(7-5-15)26-23-27-19-12-17(8-9-21(19)30-23)29-18-10-11-25-20(13-18)22(28)24-3/h4-14H,1-3H3,(H,24,28)(H,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344542
PNG
(4-(2-(4-bromophenylamino)benzo[d]oxazol-5-yloxy)-N...)
Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Br)cc4)nc3c2)ccn1
Show InChI InChI=1S/C20H15BrN4O3/c1-22-19(26)17-11-15(8-9-23-17)27-14-6-7-18-16(10-14)25-20(28-18)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,26)(H,24,25)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026693
PNG
(CHEMBL3335378)
Show SMILES CC(C)c1ccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)cc1
Show InChI InChI=1S/C24H25N5O2/c1-15(2)17-5-7-18(8-6-17)27-24-28-21-13-19(9-10-22(21)29(24)4)31-20-11-12-25-23(14-20)26-16(3)30/h5-15H,1-4H3,(H,27,28)(H,25,26,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344531
PNG
(4-(2-(4-chlorophenylamino)benzo[d]thiazol-5-yloxy)...)
Show SMILES CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(Cl)cc4)nc3c2)ccn1
Show InChI InChI=1S/C20H15ClN4O2S/c1-22-19(26)17-11-15(8-9-23-17)27-14-6-7-18-16(10-14)25-20(28-18)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,26)(H,24,25)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344526
PNG
(CHEMBL1778409 | N-methyl-4-(2-(4-(trifluoromethoxy...)
Show SMILES CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(OC(F)(F)F)cc4)nc3c2)ccn1
Show InChI InChI=1S/C21H15F3N4O3S/c1-25-19(29)17-11-15(8-9-26-17)30-14-6-7-18-16(10-14)28-20(32-18)27-12-2-4-13(5-3-12)31-21(22,23)24/h2-11H,1H3,(H,25,29)(H,27,28)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026676
PNG
(CHEMBL3335380)
Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O2/c1-13(31)27-20-12-17(9-10-26-20)32-16-7-8-19-18(11-16)29-21(30(19)2)28-15-5-3-14(4-6-15)22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50344534
PNG
(4-(2-(3-isopropylphenylamino)benzo[d]oxazol-5-ylox...)
Show SMILES CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(c4)C(N)=O)ccc3o2)c1
Show InChI InChI=1S/C22H20N4O3/c1-13(2)14-4-3-5-15(10-14)25-22-26-18-11-16(6-7-20(18)29-22)28-17-8-9-24-19(12-17)21(23)27/h3-13H,1-2H3,(H2,23,27)(H,25,26)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA


Bioorg Med Chem Lett 21: 3286-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.023
BindingDB Entry DOI: 10.7270/Q2R78FH0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26037
PNG
(4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...)
Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NCCO)ccc12
Show InChI InChI=1S/C22H20BrN5O3/c1-28-20-7-6-16(31-17-8-9-24-19(13-17)21(30)25-10-11-29)12-18(20)27-22(28)26-15-4-2-14(23)3-5-15/h2-9,12-13,29H,10-11H2,1H3,(H,25,30)(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26028
PNG
(4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)
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n/an/a 4n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26022
PNG
(4-({2-[(3-bromophenyl)(methyl)amino]-1H-1,3-benzod...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(Br)c4)nc3c2)ccn1
Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(8-9-24-18)29-15-6-7-19-17(11-15)26-21(27(19)2)25-14-5-3-4-13(22)10-14/h3-12H,1-2H3,(H,23,28)(H,25,26)
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n/an/a 4n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (Human))
BDBM26028
PNG
(4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity towards acetylcholine esterase (AChE)


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM26028
PNG
(4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50112348
PNG
(CHEMBL3609372)
Show SMILES CC(C)NC(=O)N1CC[C@@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12 |r,t:13|
Show InChI InChI=1/C23H25ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16,21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)/t16-/s2
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n/an/a 5.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of wild type dephosphorylated form of PAK1 (249 to 545) (unknown origin) expressed in Escherichia coli using 5-Fluo-Ahx-AKRRRLSSLRA-COOH a...


ACS Med Chem Lett 6: 776-81 (2015)


BindingDB Entry DOI: 10.7270/Q25X2BQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50112349
PNG
(CHEMBL3609328)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2ccc(F)cc12 |t:8|
Show InChI InChI=1S/C18H18F2N4/c1-23-6-8-24(9-7-23)18-14-10-12(19)2-4-15(14)21-16-5-3-13(20)11-17(16)22-18/h2-5,10-11,21H,6-9H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human muscarinic M1 receptor


ACS Med Chem Lett 6: 776-81 (2015)


BindingDB Entry DOI: 10.7270/Q25X2BQS
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26025
PNG
(N-methyl-4-[(2-{methyl[3-(trifluoromethyl)phenyl]a...)
Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1
Show InChI InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)
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n/an/a 6n/an/an/an/a7.822



Novartis



Assay Description
To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...


J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
BindingDB Entry DOI: 10.7270/Q2B56H1C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50026673
PNG
(CHEMBL3335387)
Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1
Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant (unknown origin)


ACS Med Chem Lett 5: 989-92 (2014)


Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Kappa opioid receptor


ACS Med Chem Lett 6: 961-5 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G4S
More data for this
Ligand-Target Pair
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