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Compile Data Set for Download or QSAR

Found 981 hits with Last Name = 'dinsmore' and Initial = 'cj'   
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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139186
PNG
(4-allyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)
Show SMILES C=CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C26H25N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h2,4-7,10-11,13,18H,1,3,8-9,14-17H2
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152595
PNG
(CHEMBL3780091)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
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n/an/a 0.100n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50081221
PNG
(4-{5-[(S)-2-Butyl-4-(3-chloro-phenyl)-5-oxo-pipera...)
Show SMILES CCCC[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1
Show InChI InChI=1S/C26H28ClN5O/c1-2-3-6-24-17-32(23-7-4-5-22(27)12-23)26(33)18-30(24)16-25-14-29-19-31(25)15-21-10-8-20(13-28)9-11-21/h4-5,7-12,14,19,24H,2-3,6,15-18H2,1H3/t24-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase


J Med Chem 42: 3779-84 (1999)


Article DOI: 10.1021/jm990254z
BindingDB Entry DOI: 10.7270/Q2F47NB1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 0.120n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50081212
PNG
(4-{5-[(S)-2-Butyl-5-oxo-4-(3-trifluoromethyl-pheno...)
Show SMILES CCCC[C@H]1CN(Oc2cccc(c2)C(F)(F)F)C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H28F3N5O2/c1-2-3-6-23-17-35(37-25-7-4-5-22(12-25)27(28,29)30)26(36)18-33(23)16-24-14-32-19-34(24)15-21-10-8-20(13-31)9-11-21/h4-5,7-12,14,19,23H,2-3,6,15-18H2,1H3/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase


J Med Chem 42: 3779-84 (1999)


Article DOI: 10.1021/jm990254z
BindingDB Entry DOI: 10.7270/Q2F47NB1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50449372
PNG
(CHEMBL3126350)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C17H11Cl2N5O3S/c18-11-5-8(28(20,26)27)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)(H2,20,26,27)
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n/an/a 0.150n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50081215
PNG
(4-{5-[(S)-4-(3-Chloro-phenyl)-2-ethanesulfonylmeth...)
Show SMILES CCS(=O)(=O)C[C@@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1
Show InChI InChI=1S/C25H26ClN5O3S/c1-2-35(33,34)17-24-15-31(22-5-3-4-21(26)10-22)25(32)16-29(24)14-23-12-28-18-30(23)13-20-8-6-19(11-27)7-9-20/h3-10,12,18,24H,2,13-17H2,1H3/t24-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase


J Med Chem 42: 3779-84 (1999)


Article DOI: 10.1021/jm990254z
BindingDB Entry DOI: 10.7270/Q2F47NB1
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347672
PNG
(CHEMBL1802904)
Show SMILES CCN1CCC(CC1)n1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N(C)C)cc3c(=O)c2c1
Show InChI InChI=1S/C26H30N6O3S/c1-4-31-11-9-22(10-12-31)32-17-20(16-28-32)19-13-24-25(27-15-19)8-6-18-5-7-21(14-23(18)26(24)33)29-36(34,35)30(2)3/h5-8,13-17,22,29H,4,9-12H2,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50449373
PNG
(CHEMBL3126349)
Show SMILES OC(C(F)F)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2F2N4O2/c20-11-5-8(16(28)17(22)23)6-12(21)15(11)27-18-9-1-4-25-19(29)14(9)10-7-24-3-2-13(10)26-18/h1-7,16-17,28H,(H,25,29)(H,26,27)
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Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50098037
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C27H34N6O/c28-15-20-1-3-21(4-2-20)17-33-19-29-16-25(33)18-31-5-7-32(8-6-31)26(34)30-27-12-22-9-23(13-27)11-24(10-22)14-27/h1-4,16,19,22-24H,5-14,17-18H2,(H,30,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 865-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00061-0
BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50083595
PNG
(3-[3-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES N[C@@H](CS)CNc1cccc(Oc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-4-2-6-15(8-13)21-14-5-1-3-11(7-14)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1
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n/an/a 0.25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Farnesyltransferase in vitro.


Bioorg Med Chem Lett 9: 3301-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00605-8
BindingDB Entry DOI: 10.7270/Q2Q52NT7
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139202
PNG
(4-methyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)
Show SMILES Cc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C24H23N5O2/c1-17-2-5-22-9-20(17)13-28-7-6-27(15-24(28)30)14-21-11-26-16-29(21)12-18-3-4-19(10-25)23(8-18)31-22/h2-5,8-9,11,16H,6-7,12-15H2,1H3
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n/an/a 0.260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/a 0.290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139196
PNG
(4-chloro-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)
Show SMILES Clc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C23H20ClN5O2/c24-21-4-3-20-8-18(21)12-28-6-5-27(14-23(28)30)13-19-10-26-15-29(19)11-16-1-2-17(9-25)22(7-16)31-20/h1-4,7-8,10,15H,5-6,11-14H2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152667
PNG
(CHEMBL3780636)
Show SMILES CCN[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H25N5O/c1-2-21-13-7-9-14(10-8-13)23-17-11-12-22-20(26)18(17)19-24-15-5-3-4-6-16(15)25-19/h3-6,11-14,21H,2,7-10H2,1H3,(H,24,25)(H2,22,23,26)/t13-,14+
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n/an/a 0.300n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139190
PNG
(4-propyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)
Show SMILES CCCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C26H27N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h4-7,10-11,13,18H,2-3,8-9,14-17H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139202
PNG
(4-methyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)
Show SMILES Cc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C24H23N5O2/c1-17-2-5-22-9-20(17)13-28-7-6-27(15-24(28)30)14-21-11-26-16-29(21)12-18-3-4-19(10-25)23(8-18)31-22/h2-5,8-9,11,16H,6-7,12-15H2,1H3
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n/an/a 0.330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152602
PNG
(CHEMBL3781442)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2CC(CCc2[nH]1)C(F)F
Show InChI InChI=1S/C19H25F2N5O/c20-17(21)10-1-6-13-15(9-10)26-18(25-13)16-14(7-8-23-19(16)27)24-12-4-2-11(22)3-5-12/h7-8,10-12,17H,1-6,9,22H2,(H,25,26)(H2,23,24,27)/t10?,11-,12+
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n/an/a 0.400n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50083589
PNG
(3-[4-((S)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES N[C@H](CS)CNc1ccc(Oc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-4-6-14(7-5-13)21-15-3-1-2-11(8-15)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Farnesyltransferase in vitro.


Bioorg Med Chem Lett 9: 3301-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00605-8
BindingDB Entry DOI: 10.7270/Q2Q52NT7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355409
PNG
(CHEMBL1835142)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(N[C@H](C3CC3)C(F)(F)F)c21)C(N)=O
Show InChI InChI=1S/C21H19F3N6O/c1-30-9-12(7-27-30)11-4-5-13-15(6-11)28-17-14(19(25)31)8-26-20(16(13)17)29-18(10-2-3-10)21(22,23)24/h4-10,18,28H,2-3H2,1H3,(H2,25,31)(H,26,29)/t18-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate


J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50079667
PNG
((S)-2-[3-({(4-Cyano-benzyl)-[3-(4-cyano-benzyl)-3H...)
Show SMILES CSCC[C@H](NC(=O)c1cccc(CN(Cc2cncn2Cc2ccc(cc2)C#N)Cc2ccc(cc2)C#N)c1)C(O)=O
Show InChI InChI=1S/C33H32N6O3S/c1-43-14-13-31(33(41)42)37-32(40)29-4-2-3-28(15-29)20-38(19-26-9-5-24(16-34)6-10-26)22-30-18-36-23-39(30)21-27-11-7-25(17-35)8-12-27/h2-12,15,18,23,31H,13-14,19-22H2,1H3,(H,37,40)(H,41,42)/t31-/m0/s1
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n/an/a 0.410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Reduction in the FTase-catalyzed (enzyme purified from bovine brain) incorporation of [3H]-FPP into recombinant Ha-Ras.


Bioorg Med Chem Lett 9: 1991-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00323-6
BindingDB Entry DOI: 10.7270/Q2ZG6RFB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50081217
PNG
(4-{5-[(S)-2-Butyl-4-(2,3-dimethyl-phenyl)-5-oxo-pi...)
Show SMILES CCCC[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(C)c1C
Show InChI InChI=1S/C28H33N5O/c1-4-5-8-25-18-33(27-9-6-7-21(2)22(27)3)28(34)19-31(25)17-26-15-30-20-32(26)16-24-12-10-23(14-29)11-13-24/h6-7,9-13,15,20,25H,4-5,8,16-19H2,1-3H3/t25-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase


J Med Chem 42: 3779-84 (1999)


Article DOI: 10.1021/jm990254z
BindingDB Entry DOI: 10.7270/Q2F47NB1
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139190
PNG
(4-propyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)
Show SMILES CCCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C26H27N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h4-7,10-11,13,18H,2-3,8-9,14-17H2,1H3
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n/an/a 0.440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50083575
PNG
(4-{5-[(4-Benzenesulfonyl-3-methyl-phenylamino)-met...)
Show SMILES Cc1ncc(CNc2ccc(c(C)c2)S(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C26H24N4O2S/c1-19-14-23(12-13-26(19)33(31,32)25-6-4-3-5-7-25)29-17-24-16-28-20(2)30(24)18-22-10-8-21(15-27)9-11-22/h3-14,16,29H,17-18H2,1-2H3
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n/an/a 0.450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Farnesyltransferase in vitro.


Bioorg Med Chem Lett 9: 3301-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00605-8
BindingDB Entry DOI: 10.7270/Q2Q52NT7
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139189
PNG
(4-bromo-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)
Show SMILES Brc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C23H20BrN5O2/c24-21-4-3-20-8-18(21)12-28-6-5-27(14-23(28)30)13-19-10-26-15-29(19)11-16-1-2-17(9-25)22(7-16)31-20/h1-4,7-8,10,15H,5-6,11-14H2
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n/an/a 0.450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50101925
PNG
(16-benzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1ccccc1)ccc4C#N)cc23
Show InChI InChI=1S/C31H25N5O2/c32-16-24-10-9-22-14-30(24)38-26-12-11-23-7-4-8-28(27(23)15-26)35-31(37)29(13-21-5-2-1-3-6-21)34-18-25-17-33-20-36(25)19-22/h1-12,14-15,17,20,29,34H,13,18-19H2,(H,35,37)/t29-/m1/s1
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n/an/a 0.470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152666
PNG
(CHEMBL3781359)
Show SMILES FCCN[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H24FN5O/c21-10-12-22-13-5-7-14(8-6-13)24-17-9-11-23-20(27)18(17)19-25-15-3-1-2-4-16(15)26-19/h1-4,9,11,13-14,22H,5-8,10,12H2,(H,25,26)(H2,23,24,27)/t13-,14+
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n/an/a 0.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139198
PNG
(4-(1-ethynyl)-23-oxo-8-oxa-1,15,17,21-tetraazapent...)
Show SMILES O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1C#C
Show InChI InChI=1S/C25H21N5O2/c1-2-19-5-6-23-10-21(19)14-29-8-7-28(16-25(29)31)15-22-12-27-17-30(22)13-18-3-4-20(11-26)24(9-18)32-23/h1,3-6,9-10,12,17H,7-8,13-16H2
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50449375
PNG
(CHEMBL3126347)
Show SMILES CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N4O2/c1-20(2,28)10-7-13(21)17(14(22)8-10)26-18-11-3-6-24-19(27)16(11)12-9-23-5-4-15(12)25-18/h3-9,28H,1-2H3,(H,24,27)(H,25,26)
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n/an/a 0.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139195
PNG
(4-(2,2-dimethyl-1,3-dioxolan-4-ylmethyl)-23-oxo-8-...)
Show SMILES CC1(C)OCC(Cc2ccc3Oc4cc(Cn5cncc5CN5CCN(Cc2c3)C(=O)C5)ccc4C#N)O1
Show InChI InChI=1S/C29H31N5O4/c1-29(2)36-18-26(38-29)10-21-5-6-25-11-23(21)15-33-8-7-32(17-28(33)35)16-24-13-31-19-34(24)14-20-3-4-22(12-30)27(9-20)37-25/h3-6,9,11,13,19,26H,7-8,10,14-18H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139186
PNG
(4-allyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)
Show SMILES C=CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C26H25N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h2,4-7,10-11,13,18H,1,3,8-9,14-17H2
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n/an/a 0.590n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152668
PNG
(CHEMBL3779913)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12-
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n/an/a 0.600n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50449376
PNG
(CHEMBL3126346)
Show SMILES CC(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2N4O2/c1-9(26)10-6-13(20)17(14(21)7-10)25-18-11-2-5-23-19(27)16(11)12-8-22-4-3-15(12)24-18/h2-9,26H,1H3,(H,23,27)(H,24,25)
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n/an/a 0.600n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139191
PNG
(4-ethyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)
Show SMILES CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C25H25N5O2/c1-2-19-5-6-23-10-21(19)14-29-8-7-28(16-25(29)31)15-22-12-27-17-30(22)13-18-3-4-20(11-26)24(9-18)32-23/h3-6,9-10,12,17H,2,7-8,13-16H2,1H3
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n/an/a 0.660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139200
PNG
(4-cyclopropylmethyl-23-oxo-8-oxa-1,15,17,21-tetraa...)
Show SMILES O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1CC1CC1
Show InChI InChI=1S/C27H27N5O2/c28-12-22-4-3-20-10-26(22)34-25-6-5-21(9-19-1-2-19)23(11-25)15-31-8-7-30(17-27(31)33)16-24-13-29-18-32(24)14-20/h3-6,10-11,13,18-19H,1-2,7-9,14-17H2
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n/an/a 0.660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50083578
PNG
(4-{5-[(4-Benzenesulfonyl-phenylamino)-methyl]-imid...)
Show SMILES O=S(=O)(c1ccccc1)c1ccc(NCc2cncn2Cc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C24H20N4O2S/c25-14-19-6-8-20(9-7-19)17-28-18-26-15-22(28)16-27-21-10-12-24(13-11-21)31(29,30)23-4-2-1-3-5-23/h1-13,15,18,27H,16-17H2
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Farnesyltransferase in vitro.


Bioorg Med Chem Lett 9: 3301-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00605-8
BindingDB Entry DOI: 10.7270/Q2Q52NT7
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347697
PNG
(CHEMBL1802603)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(N)cc3c(=O)c2c1
Show InChI InChI=1S/C18H14N4O/c1-22-10-13(9-21-22)12-6-16-17(20-8-12)5-3-11-2-4-14(19)7-15(11)18(16)23/h2-10H,19H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence reson...


J Med Chem 54: 4092-108 (2011)


Article DOI: 10.1021/jm200112k
BindingDB Entry DOI: 10.7270/Q2X34ZFZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152665
PNG
(CHEMBL3781394)
Show SMILES FC(F)CN[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H23F2N5O/c21-17(22)11-24-12-5-7-13(8-6-12)25-16-9-10-23-20(28)18(16)19-26-14-3-1-2-4-15(14)27-19/h1-4,9-10,12-13,17,24H,5-8,11H2,(H,26,27)(H2,23,25,28)/t12-,13+
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n/an/a 0.700n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 0.720n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50449381
PNG
(CHEMBL3126341)
Show SMILES Fc1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C17H9Cl2FN4O/c18-11-5-8(20)6-12(19)15(11)24-16-9-1-4-22-17(25)14(9)10-7-21-3-2-13(10)23-16/h1-7H,(H,22,25)(H,23,24)
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n/an/a 0.800n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355405
PNG
(CHEMBL1835153)
Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1
Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)17(9-1-2-9)31-19-15-12-4-3-10(11-6-28-20(26)29-7-11)5-14(12)30-16(15)13(8-27-19)18(25)32/h3-9,17,30H,1-2H2,(H2,25,32)(H,27,31)(H2,26,28,29)/t17-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate


J Med Chem 54: 7334-49 (2011)


Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50083580
PNG
(4-{5-[(4-Benzoyl-phenylamino)-methyl]-imidazol-1-y...)
Show SMILES O=C(c1ccccc1)c1ccc(NCc2cncn2Cc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C25H20N4O/c26-14-19-6-8-20(9-7-19)17-29-18-27-15-24(29)16-28-23-12-10-22(11-13-23)25(30)21-4-2-1-3-5-21/h1-13,15,18,28H,16-17H2
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Farnesyltransferase in vitro.


Bioorg Med Chem Lett 9: 3301-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00605-8
BindingDB Entry DOI: 10.7270/Q2Q52NT7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152607
PNG
(CHEMBL3780230)
Show SMILES COCCN[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H27N5O2/c1-28-13-12-22-14-6-8-15(9-7-14)24-18-10-11-23-21(27)19(18)20-25-16-4-2-3-5-17(16)26-20/h2-5,10-11,14-15,22H,6-9,12-13H2,1H3,(H,25,26)(H2,23,24,27)/t14-,15+
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n/an/a 0.800n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152601
PNG
(CHEMBL3780467)
Show SMILES COC(=O)C1CCc2[nH]c(nc2C1)-c1c(N[C@@H]2CC[C@H](N)CC2)cc[nH]c1=O
Show InChI InChI=1S/C20H27N5O3/c1-28-20(27)11-2-7-14-16(10-11)25-18(24-14)17-15(8-9-22-19(17)26)23-13-5-3-12(21)4-6-13/h8-9,11-13H,2-7,10,21H2,1H3,(H,24,25)(H2,22,23,26)/t11?,12-,13+
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n/an/a 0.800n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139195
PNG
(4-(2,2-dimethyl-1,3-dioxolan-4-ylmethyl)-23-oxo-8-...)
Show SMILES CC1(C)OCC(Cc2ccc3Oc4cc(Cn5cncc5CN5CCN(Cc2c3)C(=O)C5)ccc4C#N)O1
Show InChI InChI=1S/C29H31N5O4/c1-29(2)36-18-26(38-29)10-21-5-6-25-11-23(21)15-33-8-7-32(17-28(33)35)16-24-13-31-19-34(24)14-20-3-4-22(12-30)27(9-20)37-25/h3-6,9,11,13,19,26H,7-8,10,14-18H2,1-2H3
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n/an/a 0.860n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50152603
PNG
(CHEMBL3780299)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2CCCCc2[nH]1
Show InChI InChI=1S/C18H25N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h9-12H,1-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
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n/an/a 0.900n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
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