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Compile Data Set for Download or QSAR

Found 426 hits with Last Name = 'omer' and Initial = 'ca'   
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) Chain B


(Homo sapiens (Human))
BDBM16179
PNG
(4-{[5-({[(3S)-1-(3-chlorobenzyl)-2-oxopyrrolidin-3...)
Show SMILES Clc1cccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1 |r|
Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)15-28-9-8-22(23(28)30)27-13-21-12-26-16-29(21)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,22,27H,8-9,13-15H2/t22-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051826
PNG
(CHEMBL27486 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051825
PNG
(CHEMBL27141 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES N[C@@H](CS)CN1CCN(C[C@@H]1CCOC1CC1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H31N3O2S/c24-18(16-29)14-25-11-12-26(15-19(25)10-13-28-20-8-9-20)23(27)22-7-3-5-17-4-1-2-6-21(17)22/h1-7,18-20,29H,8-16,24H2/t18-,19+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103360
PNG
((3-{[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]-[3...)
Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C31H37ClN6O3/c1-31(2,3)41-30(40)35-13-5-14-36(28-12-15-37(29(28)39)20-25-6-4-7-26(32)16-25)21-27-18-34-22-38(27)19-24-10-8-23(17-33)9-11-24/h4,6-11,16,18,22,28H,5,12-15,19-21H2,1-3H3,(H,35,40)/t28-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abl


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103360
PNG
((3-{[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]-[3...)
Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C31H37ClN6O3/c1-31(2,3)41-30(40)35-13-5-14-36(28-12-15-37(29(28)39)20-25-6-4-7-26(32)16-25)21-27-18-34-22-38(27)19-24-10-8-23(17-33)9-11-24/h4,6-11,16,18,22,28H,5,12-15,19-21H2,1-3H3,(H,35,40)/t28-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TrkA


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103333
PNG
(4-(5-{[1-(2-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-3-1-2-4-21(19)28-10-9-20(22(28)29)26-13-18-12-25-15-27(18)14-17-7-5-16(11-24)6-8-17/h1-8,12,15,20,26H,9-10,13-14H2/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM16179
PNG
(4-{[5-({[(3S)-1-(3-chlorobenzyl)-2-oxopyrrolidin-3...)
Show SMILES Clc1cccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1 |r|
Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)15-28-9-8-22(23(28)30)27-13-21-12-26-16-29(21)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,22,27H,8-9,13-15H2/t22-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255518
PNG
(4-(3,4-dichlorophenylamino)-7-methoxy-6-(4-methylp...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)c(Cl)c3)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-10-14-18(11-20(19)31-2)26-12-15(22(25)30)21(14)27-13-3-4-16(23)17(24)9-13/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Flt3


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Fgr


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103322
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCCc3ccccc3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C32H32ClN5O/c33-29-10-4-8-28(18-29)22-37-17-15-31(32(37)39)36(16-5-9-25-6-2-1-3-7-25)23-30-20-35-24-38(30)21-27-13-11-26(19-34)12-14-27/h1-4,6-8,10-14,18,20,24,31H,5,9,15-17,21-23H2/t31-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103318
PNG
(4-(5-{[1-(2-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1CN1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C23H22ClN5O/c24-21-4-2-1-3-19(21)15-28-10-9-22(23(28)30)27-13-20-12-26-16-29(20)14-18-7-5-17(11-25)6-8-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255517
PNG
(4-(2,4-dichlorophenylamino)-7-methoxy-6-(4-methylp...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3Cl)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-10-14-18(11-20(19)31-2)26-12-15(22(25)30)21(14)27-17-4-3-13(23)9-16(17)24/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255594
PNG
(4-(2,3-dichlorophenylamino)-7-fluoro-6-(4-methylpi...)
Show SMILES CN1CCN(CC1)c1cc2c(Nc3cccc(Cl)c3Cl)c(cnc2cc1F)C(N)=O
Show InChI InChI=1S/C21H20Cl2FN5O/c1-28-5-7-29(8-6-28)18-9-12-17(10-15(18)24)26-11-13(21(25)30)20(12)27-16-4-2-3-14(22)19(16)23/h2-4,9-11H,5-8H2,1H3,(H2,25,30)(H,26,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244725
PNG
(2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H12Cl3N3O2/c20-12-6-11(7-13(21)8-12)18(26)24-14-3-4-17(22)16(9-14)19(27)25-15-2-1-5-23-10-15/h1-10H,(H,24,26)(H,25,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051823
PNG
(CHEMBL275378 | [(S)-4-((R)-2-Amino-3-mercapto-prop...)
Show SMILES COCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H29N3O2S/c1-26-12-9-18-14-24(11-10-23(18)13-17(22)15-27)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,17-18,27H,9-15,22H2,1H3/t17-,18+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244783
PNG
(2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-1,3-thia...)
Show SMILES Cc1cc(C)cc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cncs1
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-5-12(2)7-13(6-11)18(24)22-14-3-4-16(20)15(8-14)19(25)23-17-9-21-10-26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244781
PNG
(2-Chloro-N-thiazol-5-yl-5-(3-trifluoromethyl-benzo...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cncs1
Show InChI InChI=1S/C18H11ClF3N3O2S/c19-14-5-4-12(7-13(14)17(27)25-15-8-23-9-28-15)24-16(26)10-2-1-3-11(6-10)18(20,21)22/h1-9H,(H,24,26)(H,25,27)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244726
PNG
(2-chloro-5-[(3,4-dichlorobenzoyl)amino]-N-pyridin-...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H12Cl3N3O2/c20-15-6-4-12(24-18(26)11-3-5-16(21)17(22)8-11)9-14(15)19(27)25-13-2-1-7-23-10-13/h1-10H,(H,24,26)(H,25,27)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255695
PNG
(4-(2,3-dichlorophenylamino)-7-(2-(dimethylamino)et...)
Show SMILES COc1cc2c(Nc3cccc(Cl)c3Cl)c(cnc2cc1NCCN(C)C)C(N)=O
Show InChI InChI=1S/C21H23Cl2N5O2/c1-28(2)8-7-25-17-10-16-12(9-18(17)30-3)20(13(11-26-16)21(24)29)27-15-6-4-5-14(22)19(15)23/h4-6,9-11,25H,7-8H2,1-3H3,(H2,24,29)(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255697
PNG
(4-(2,3-dichlorophenylamino)-6-(2-(dimethylamino)et...)
Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCCN(C)C
Show InChI InChI=1S/C22H25Cl2N5O2/c1-4-31-19-11-17-13(10-18(19)26-8-9-29(2)3)21(14(12-27-17)22(25)30)28-16-7-5-6-15(23)20(16)24/h5-7,10-12,26H,4,8-9H2,1-3H3,(H2,25,30)(H,27,28)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50001129
PNG
(CHEMBL3236390)
Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1820-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50001129
PNG
(CHEMBL3236390)
Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1820-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103334
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCN3CCOCC3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H33ClN6O2/c30-26-3-1-2-25(16-26)20-35-9-8-28(29(35)37)34(11-10-33-12-14-38-15-13-33)21-27-18-32-22-36(27)19-24-6-4-23(17-31)5-7-24/h1-7,16,18,22,28H,8-15,19-21H2/t28-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BTK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50364484
PNG
(CHEMBL1950864)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1C[C@@H]2CC[C@H]1N(CCc1ccccc1)C2 |r,TLB:24:23:17.18:21.20|
Show InChI InChI=1S/C27H42N4O2/c1-19(28-2)26(32)30-25(22-11-7-4-8-12-22)27(33)29-23-17-21-13-14-24(23)31(18-21)16-15-20-9-5-3-6-10-20/h3,5-6,9-10,19,21-25,28H,4,7-8,11-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23-,24+,25-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1690-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.109
BindingDB Entry DOI: 10.7270/Q2G161BG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244844
PNG
(5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methy...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(C)cc(C)c3)ccc2C)s1
Show InChI InChI=1S/C21H21N3O2S/c1-12-7-13(2)9-16(8-12)20(25)23-17-6-5-14(3)18(10-17)21(26)24-19-11-22-15(4)27-19/h5-11H,1-4H3,(H,23,25)(H,24,26)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244843
PNG
(2-Chloro-5-(3-chloro-benzoylamino)-N-(2-methyl-thi...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2Cl)s1
Show InChI InChI=1S/C18H13Cl2N3O2S/c1-10-21-9-16(26-10)23-18(25)14-8-13(5-6-15(14)20)22-17(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H,22,24)(H,23,25)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50001129
PNG
(CHEMBL3236390)
Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1820-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103325
PNG
(4-(5-{[1-(2-Ethylsulfanyl-pyridine-3-carbonyl)-pyr...)
Show SMILES CCSc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N6OS/c1-2-32-23-22(4-3-10-27-23)24(31)29-11-9-20(16-29)28-14-21-13-26-17-30(21)15-19-7-5-18(12-25)6-8-19/h3-8,10,13,17,20,28H,2,9,11,14-16H2,1H3/t20-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244782
PNG
(2-Chloro-5-(3-chloro-benzoylamino)-N-thiazol-5-yl-...)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cncs1
Show InChI InChI=1S/C17H11Cl2N3O2S/c18-11-3-1-2-10(6-11)16(23)21-12-4-5-14(19)13(7-12)17(24)22-15-8-20-9-25-15/h1-9H,(H,21,23)(H,22,24)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051824
PNG
(CHEMBL283208 | [(S)-4-((R)-2-Amino-3-mercapto-prop...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc(C)c1C
Show InChI InChI=1S/C20H33N3OS/c1-4-5-8-18-13-23(11-10-22(18)12-17(21)14-25)20(24)19-9-6-7-15(2)16(19)3/h6-7,9,17-18,25H,4-5,8,10-14,21H2,1-3H3/t17-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244724
PNG
(2-chloro-5-[(3,4-dimethylbenzoyl)amino]-N-pyridin-...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C21H18ClN3O2/c1-13-5-6-15(10-14(13)2)20(26)24-16-7-8-19(22)18(11-16)21(27)25-17-4-3-9-23-12-17/h3-12H,1-2H3,(H,24,26)(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103318
PNG
(4-(5-{[1-(2-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1CN1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C23H22ClN5O/c24-21-4-2-1-3-19(21)15-28-10-9-22(23(28)30)27-13-20-12-26-16-29(20)14-18-7-5-17(11-25)6-8-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SIK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103354
PNG
((S)-4-((5-((1-benzyl-2-oxopyrrolidin-3-ylamino)met...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255520
PNG
(4-(2,4-difluorophenylamino)-7-methoxy-6-(4-methylp...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C22H23F2N5O2/c1-28-5-7-29(8-6-28)19-10-14-18(11-20(19)31-2)26-12-15(22(25)30)21(14)27-17-4-3-13(23)9-16(17)24/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255811
PNG
(4-(2,4-difluorophenylamino)-7-ethoxy-6-(4-methylpi...)
Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244845
PNG
(2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methy...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(C)cc(C)c3)ccc2Cl)s1
Show InChI InChI=1S/C20H18ClN3O2S/c1-11-6-12(2)8-14(7-11)19(25)23-15-4-5-17(21)16(9-15)20(26)24-18-10-22-13(3)27-18/h4-10H,1-3H3,(H,23,25)(H,24,26)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103334
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCN3CCOCC3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H33ClN6O2/c30-26-3-1-2-25(16-26)20-35-9-8-28(29(35)37)34(11-10-33-12-14-38-15-13-33)21-27-18-32-22-36(27)19-24-6-4-23(17-31)5-7-24/h1-7,16,18,22,28H,8-15,19-21H2/t28-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24705
PNG
(4-aminopyrazolylpyrimidine analogue, 10k | 5-bromo...)
Show SMILES C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H18BrFN6/c1-10(11-4-6-13(20)7-5-11)22-18-21-9-14(19)17(24-18)23-16-8-15(25-26-16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 6n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255375
PNG
(4-(2,3-dichlorophenylamino)-6,7-dimethoxyquinoline...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC
Show InChI InChI=1S/C18H15Cl2N3O3/c1-25-14-6-9-13(7-15(14)26-2)22-8-10(18(21)24)17(9)23-12-5-3-4-11(19)16(12)20/h3-8H,1-2H3,(H2,21,24)(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255698
PNG
(4-(2,3-dichlorophenylamino)-7-ethoxy-6-(2-(piperid...)
Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCCN1CCCCC1
Show InChI InChI=1S/C25H29Cl2N5O2/c1-2-34-22-14-20-16(13-21(22)29-9-12-32-10-4-3-5-11-32)24(17(15-30-20)25(28)33)31-19-8-6-7-18(26)23(19)27/h6-8,13-15,29H,2-5,9-12H2,1H3,(H2,28,33)(H,30,31)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103346
PNG
(4-(5-{[[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]...)
Show SMILES Clc1cccc(CN2CC[C@H](N(CCN3CCNCC3)Cc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H34ClN7O/c30-26-3-1-2-25(16-26)20-36-11-8-28(29(36)38)35(15-14-34-12-9-32-10-13-34)21-27-18-33-22-37(27)19-24-6-4-23(17-31)5-7-24/h1-7,16,18,22,28,32H,8-15,19-21H2/t28-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Phosphorylase kinase


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PhKg2


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103325
PNG
(4-(5-{[1-(2-Ethylsulfanyl-pyridine-3-carbonyl)-pyr...)
Show SMILES CCSc1ncccc1C(=O)N1CC[C@@H](C1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N6OS/c1-2-32-23-22(4-3-10-27-23)24(31)29-11-9-20(16-29)28-14-21-13-26-17-30(21)15-19-7-5-18(12-25)6-8-19/h3-8,10,13,17,20,28H,2,9,11,14-16H2,1H3/t20-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244846
PNG
(2-chloro-5-{[3-fluoro-5-(trifluoromethyl)benzoyl]a...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(c3)C(F)(F)F)ccc2Cl)s1
Show InChI InChI=1S/C19H12ClF4N3O2S/c1-9-25-8-16(30-9)27-18(29)14-7-13(2-3-15(14)20)26-17(28)10-4-11(19(22,23)24)6-12(21)5-10/h2-8H,1H3,(H,26,28)(H,27,29)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244780
PNG
(5-(3-Chloro-benzoylamino)-2-methyl-N-(2-methyl-thi...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2C)s1
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-6-7-15(22-18(24)13-4-3-5-14(20)8-13)9-16(11)19(25)23-17-10-21-12(2)26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
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