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Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'batorsky' and Initial = 'r'   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM5725
PNG
(2-aminothiazole 9 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccncn3)s2)o1
Show InChI InChI=1S/C15H17N5OS2/c1-15(2,3)10-6-17-12(21-10)8-22-13-7-18-14(23-13)20-11-4-5-16-9-19-11/h4-7,9H,8H2,1-3H3,(H,16,18,19,20)
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n/an/a 1n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092365
PNG
((R)-1-((1H-imidazol-5-yl)methyl)-3-benzyl-4-(thiop...)
Show SMILES O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1
Show InChI InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
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n/an/a 1.35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092366
PNG
(3-Benzyl-4-(2-dimethylamino-ethanesulfonyl)-1-(3H-...)
Show SMILES CN(C)CCS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C25H30N6O2S/c1-29(2)10-11-34(32,33)31-16-22-12-21(14-26)8-9-25(22)30(17-23-15-27-19-28-23)18-24(31)13-20-6-4-3-5-7-20/h3-9,12,15,19,24H,10-11,13,16-18H2,1-2H3,(H,27,28)/t24-/m1/s1
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n/an/a 1.53n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092363
PNG
(3-Benzyl-1-(3H-imidazol-4-ylmethyl)-4-(propane-1-s...)
Show SMILES CCCS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C24H27N5O2S/c1-2-10-32(30,31)29-15-21-11-20(13-25)8-9-24(21)28(16-22-14-26-18-27-22)17-23(29)12-19-6-4-3-5-7-19/h3-9,11,14,18,23H,2,10,12,15-17H2,1H3,(H,26,27)/t23-/m1/s1
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n/an/a 1.77n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092377
PNG
(4-Benzenesulfonyl-3-benzyl-1-(3H-imidazol-4-ylmeth...)
Show SMILES O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1ccccc1
Show InChI InChI=1S/C27H25N5O2S/c28-15-22-11-12-27-23(13-22)17-32(35(33,34)26-9-5-2-6-10-26)25(14-21-7-3-1-4-8-21)19-31(27)18-24-16-29-20-30-24/h1-13,16,20,25H,14,17-19H2,(H,29,30)/t25-/m1/s1
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n/an/a 1.77n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5666
PNG
(2-amino-5-thio-substituted thiazole 40 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
Show InChI InChI=1S/C18H18F2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5727
PNG
(2-aminothiazole 23 | N-{4-[(5-{[(5-tert-butyl-1,3-...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)s2)o1
Show InChI InChI=1S/C19H24N4O4S3/c1-19(2,3)15-10-20-16(27-15)12-28-17-11-21-18(29-17)23-13-4-6-14(7-5-13)30(25,26)22-8-9-24/h4-7,10-11,22,24H,8-9,12H2,1-3H3,(H,21,23)
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n/an/a 2n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5723
PNG
(2-aminothiazole 7 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1
Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)11-8-18-13(21-11)10-22-14-9-19-15(23-14)20-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3,(H,17,19,20)
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n/an/a 2n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092372
PNG
(3-Benzyl-7-cyano-1-(3H-imidazol-4-ylmethyl)-1,2,3,...)
Show SMILES CN(C)S(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C23H26N6O2S/c1-27(2)32(30,31)29-14-20-10-19(12-24)8-9-23(20)28(15-21-13-25-17-26-21)16-22(29)11-18-6-4-3-5-7-18/h3-10,13,17,22H,11,14-16H2,1-2H3,(H,25,26)/t22-/m1/s1
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n/an/a 2.85n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092357
PNG
(3-Benzyl-1-(3H-imidazol-4-ylmethyl)-4-methanesulfo...)
Show SMILES CS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C22H23N5O2S/c1-30(28,29)27-13-19-9-18(11-23)7-8-22(19)26(14-20-12-24-16-25-20)15-21(27)10-17-5-3-2-4-6-17/h2-9,12,16,21H,10,13-15H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5667
PNG
(2-amino-5-thio-substituted thiazole 41 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(Cl)cccc3Cl)s2)o1
Show InChI InChI=1S/C18H18Cl2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5668
PNG
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5924
PNG
(BMS-387032 analog 14 | N-(5-{[(5-tert-butyl-1,3-ox...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)14-10-20-16(24-14)12-25-17-11-21-18(26-17)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
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n/an/a 3n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5724
PNG
(2-aminothiazole 8 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3cccnc3)s2)o1
Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-5-4-6-17-7-11/h4-9H,10H2,1-3H3,(H,19,20)
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n/an/a 3n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5726
PNG
(2-aminothiazole deriv. | 3-[({6-[(5-{[(5-tert-buty...)
Show SMILES CC(C)(CO)CNCc1ccc(Nc2ncc(SCc3ncc(o3)C(C)(C)C)s2)nc1
Show InChI InChI=1S/C22H31N5O2S2/c1-21(2,3)16-10-25-18(29-16)12-30-19-11-26-20(31-19)27-17-7-6-15(9-24-17)8-23-13-22(4,5)14-28/h6-7,9-11,23,28H,8,12-14H2,1-5H3,(H,24,26,27)
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n/an/a 3n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5668
PNG
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
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n/an/a 3n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5708
PNG
(2-amino-5-thio-substituted thiazole 76 | N-(5-{[(2...)
Show SMILES CC(C)(C)c1ncc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)17-20-10-14(24-17)12-25-16-11-21-18(26-16)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
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Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5661
PNG
(2-amino-5-thio-substituted thiazole 26 | N-[5-({[5...)
Show SMILES CC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1
Show InChI InChI=1S/C16H21N3O2S2/c1-11(20)19-16-18-9-15(23-16)22-10-14-17-8-13(21-14)7-12-5-3-2-4-6-12/h8-9,12H,2-7,10H2,1H3,(H,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5722
PNG
(2-aminothiazole 6 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C17H19N3OS2/c1-17(2,3)13-9-18-14(21-13)11-22-15-10-19-16(23-15)20-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)
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n/an/a 4n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM5723
PNG
(2-aminothiazole 7 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1
Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)11-8-18-13(21-11)10-22-14-9-19-15(23-14)20-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3,(H,17,19,20)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5670
PNG
(2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...)
Show SMILES CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
Show InChI InChI=1S/C16H16N4O2S2/c1-2-12-8-18-14(22-12)10-23-15-9-19-16(24-15)20-13(21)6-11-4-3-5-17-7-11/h3-5,7-9H,2,6,10H2,1H3,(H,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5662
PNG
(2-amino-5-thio-substituted thiazole 29 | N-(5-{[(5...)
Show SMILES CC(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C15H21N3O2S2/c1-9(2)13(19)18-14-17-7-12(22-14)21-8-11-16-6-10(20-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5669
PNG
(2-amino-5-thio-substituted thiazole 46 | N-(5-{[(5...)
Show SMILES CCc1cnc(CSc2cnc(NC(=O)C(C)C)s2)o1
Show InChI InChI=1S/C13H17N3O2S2/c1-4-9-5-14-10(18-9)7-19-11-6-15-13(20-11)16-12(17)8(2)3/h5-6,8H,4,7H2,1-3H3,(H,15,16,17)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5660
PNG
(2-amino-5-thio-substituted thiazole 25 | 2-aminoth...)
Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)
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n/an/a 5n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5660
PNG
(2-amino-5-thio-substituted thiazole 25 | 2-aminoth...)
Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5660
PNG
(2-amino-5-thio-substituted thiazole 25 | 2-aminoth...)
Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)
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n/an/a 5n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5721
PNG
(2-aminothiazole 3 | N-(5-{[(5-tert-butyl-1,3-oxazo...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
Show InChI InChI=1S/C18H20N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)7-12-5-4-6-19-8-12/h4-6,8-10H,7,11H2,1-3H3,(H,21,22,23)
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n/an/a 5n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092375
PNG
(1-(3H-Imidazol-4-ylmethyl)-4-methanesulfonyl-7-phe...)
Show SMILES CS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1cccnc1)-c1ccccc1
Show InChI InChI=1S/C26H27N5O2S/c1-34(32,33)31-16-23-13-22(21-7-3-2-4-8-21)9-10-26(23)30(17-24-15-28-19-29-24)18-25(31)12-20-6-5-11-27-14-20/h2-11,13-15,19,25H,12,16-18H2,1H3,(H,28,29)/t25-/m1/s1
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n/an/a 5.95n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5684
PNG
((2R)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]s...)
Show SMILES C[C@@H](C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1)c1ccccc1
Show InChI InChI=1S/C20H23N3O2S2/c1-13(14-8-6-5-7-9-14)18(24)23-19-22-11-17(27-19)26-12-16-21-10-15(25-16)20(2,3)4/h5-11,13H,12H2,1-4H3,(H,22,23,24)/t13-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5659
PNG
(2-amino-5-thio-substituted thiazole 24 | N-[5-({[5...)
Show SMILES CC(C)c1cnc(CSc2cnc(NC(C)=O)s2)o1
Show InChI InChI=1S/C12H15N3O2S2/c1-7(2)9-4-13-10(17-9)6-18-11-5-14-12(19-11)15-8(3)16/h4-5,7H,6H2,1-3H3,(H,14,15,16)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM5725
PNG
(2-aminothiazole 9 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccncn3)s2)o1
Show InChI InChI=1S/C15H17N5OS2/c1-15(2,3)10-6-17-12(21-10)8-22-13-7-18-14(23-13)20-11-4-5-16-9-19-11/h4-7,9H,8H2,1-3H3,(H,16,18,19,20)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092371
PNG
(3-Benzyl-1-(3H-imidazol-4-ylmethyl)-4-methanesulfo...)
Show SMILES CS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)CC1Cc1ccccc1)-c1cccnc1
Show InChI InChI=1S/C26H27N5O2S/c1-34(32,33)31-16-23-13-21(22-8-5-11-27-14-22)9-10-26(23)30(17-24-15-28-19-29-24)18-25(31)12-20-6-3-2-4-7-20/h2-11,13-15,19,25H,12,16-18H2,1H3,(H,28,29)
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n/an/a 7.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092361
PNG
(4-Acetyl-3-benzyl-1-(3H-imidazol-4-ylmethyl)-2,3,4...)
Show SMILES CC(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C23H23N5O/c1-17(29)28-13-20-9-19(11-24)7-8-23(20)27(14-21-12-25-16-26-21)15-22(28)10-18-5-3-2-4-6-18/h2-9,12,16,22H,10,13-15H2,1H3,(H,25,26)/t22-/m1/s1
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n/an/a 8.75n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM5723
PNG
(2-aminothiazole 7 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1
Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)11-8-18-13(21-11)10-22-14-9-19-15(23-14)20-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3,(H,17,19,20)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM5724
PNG
(2-aminothiazole 8 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3cccnc3)s2)o1
Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-5-4-6-17-7-11/h4-9H,10H2,1-3H3,(H,19,20)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM5666
PNG
(2-amino-5-thio-substituted thiazole 40 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
Show InChI InChI=1S/C18H18F2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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n/an/a 10n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM5727
PNG
(2-aminothiazole 23 | N-{4-[(5-{[(5-tert-butyl-1,3-...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)s2)o1
Show InChI InChI=1S/C19H24N4O4S3/c1-19(2,3)15-10-20-16(27-15)12-28-17-11-21-18(29-17)23-13-4-6-14(7-5-13)30(25,26)22-8-9-24/h4-7,10-11,22,24H,8-9,12H2,1-3H3,(H,21,23)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092364
PNG
(3-Benzyl-7-bromo-1-(3H-imidazol-4-ylmethyl)-4-meth...)
Show SMILES CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C21H23BrN4O2S/c1-29(27,28)26-12-17-10-18(22)7-8-21(17)25(13-19-11-23-15-24-19)14-20(26)9-16-5-3-2-4-6-16/h2-8,10-11,15,20H,9,12-14H2,1H3,(H,23,24)/t20-/m1/s1
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n/an/a 10.7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5930
PNG
(BMS-387032 analog 20 | N-(5-{[(5-tert-butyl-1,3-ox...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)CC3CCNCC3)s2)o1
Show InChI InChI=1S/C18H26N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)8-12-4-6-19-7-5-12/h9-10,12,19H,4-8,11H2,1-3H3,(H,21,22,23)
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n/an/a 11n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5665
PNG
(2-amino-5-thio-substituted thiazole 39 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3ccc(F)cc3)s2)o1
Show InChI InChI=1S/C18H19FN4O2S2/c1-18(2,3)13-8-20-14(25-13)10-26-15-9-21-17(27-15)23-16(24)22-12-6-4-11(19)5-7-12/h4-9H,10H2,1-3H3,(H2,21,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM5722
PNG
(2-aminothiazole 6 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C17H19N3OS2/c1-17(2,3)13-9-18-14(21-13)11-22-15-10-19-16(23-15)20-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092355
PNG
(3-Benzyl-1-(3H-imidazol-4-ylmethyl)-4-methanesulfo...)
Show SMILES CS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)-c1ccncc1
Show InChI InChI=1S/C26H27N5O2S/c1-34(32,33)31-16-23-14-22(21-9-11-27-12-10-21)7-8-26(23)30(17-24-15-28-19-29-24)18-25(31)13-20-5-3-2-4-6-20/h2-12,14-15,19,25H,13,16-18H2,1H3,(H,28,29)/t25-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5663
PNG
(2-amino-5-thio-substituted thiazole 30 | N-(5-{[(5...)
Show SMILES CC(C)(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C16H23N3O2S2/c1-15(2,3)10-7-17-11(21-10)9-22-12-8-18-14(23-12)19-13(20)16(4,5)6/h7-8H,9H2,1-6H3,(H,18,19,20)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092367
PNG
(3-Benzyl-7-cyano-1-(3H-imidazol-4-ylmethyl)-1,2,3,...)
Show SMILES CN(C)C(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C24H26N6O/c1-28(2)24(31)30-14-20-10-19(12-25)8-9-23(20)29(15-21-13-26-17-27-21)16-22(30)11-18-6-4-3-5-7-18/h3-10,13,17,22H,11,14-16H2,1-2H3,(H,26,27)/t22-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092368
PNG
(7-Bromo-3-(2-chloro-benzyl)-1-(3H-imidazol-4-ylmet...)
Show SMILES CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2cnc[nH]2)CC1Cc1ccccc1Cl
Show InChI InChI=1S/C21H22BrClN4O2S/c1-30(28,29)27-11-16-8-17(22)6-7-21(16)26(12-18-10-24-14-25-18)13-19(27)9-15-4-2-3-5-20(15)23/h2-8,10,14,19H,9,11-13H2,1H3,(H,24,25)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


Article DOI: 10.1021/jm000248z
BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM5664
PNG
(2-amino-5-thio-substituted thiazole 34 | [5-[[[5-t...)
Show SMILES CC(C)OC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show InChI InChI=1S/C15H21N3O3S2/c1-9(2)20-14(19)18-13-17-7-12(23-13)22-8-11-16-6-10(21-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
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n/an/a 18n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5934
PNG
(BMS-387032 analog 24 | N-(5-{[(5-tert-butyl-1,3-ox...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)s2)o1
Show InChI InChI=1S/C18H26N4O4S3/c1-18(2,3)13-9-19-14(26-13)11-27-15-10-20-17(28-15)21-16(23)12-5-7-22(8-6-12)29(4,24)25/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,23)
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n/an/a 18n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM5726
PNG
(2-aminothiazole deriv. | 3-[({6-[(5-{[(5-tert-buty...)
Show SMILES CC(C)(CO)CNCc1ccc(Nc2ncc(SCc3ncc(o3)C(C)(C)C)s2)nc1
Show InChI InChI=1S/C22H31N5O2S2/c1-21(2,3)16-10-25-18(29-16)12-30-19-11-26-20(31-19)27-17-7-6-15(9-24-17)8-23-13-22(4,5)14-28/h6-7,9-11,23,28H,8,12-14H2,1-5H3,(H,24,26,27)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM5665
PNG
(2-amino-5-thio-substituted thiazole 39 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3ccc(F)cc3)s2)o1
Show InChI InChI=1S/C18H19FN4O2S2/c1-18(2,3)13-8-20-14(25-13)10-26-15-9-21-17(27-15)23-16(24)22-12-6-4-11(19)5-7-12/h4-9H,10H2,1-3H3,(H2,21,22,23,24)
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n/an/a 19n/an/an/an/a8.030



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5658
PNG
(2-amino-5-thio-substituted thiazole 14 | N-(5-{[(5...)
Show SMILES CCc1cnc(CSc2cnc(NC(C)=O)s2)o1
Show InChI InChI=1S/C11H13N3O2S2/c1-3-8-4-12-9(16-8)6-17-10-5-13-11(18-10)14-7(2)15/h4-5H,3,6H2,1-2H3,(H,13,14,15)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
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