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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'dickman' and Initial = 'd'   
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
Tryptase delta


(Homo sapiens (Human))
BDBM50475863
PNG
(CHEMBL209054)
Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(O)COc1ccc(F)cc1)C(F)(F)c1nc2c(F)cc(F)cc2[nH]1
Show InChI InChI=1S/C25H18F5N5O3/c1-35-19-8-12(22(37)33-20(36)11-38-15-5-3-13(26)4-6-15)2-7-17(19)32-24(35)25(29,30)23-31-18-10-14(27)9-16(28)21(18)34-23/h2-10,20,36H,11H2,1H3,(H,31,34)(H,33,37)
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24n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of mast cell tryptase


Bioorg Med Chem Lett 16: 4053-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.003
BindingDB Entry DOI: 10.7270/Q26H4M69
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50475860
PNG
(CHEMBL424699)
Show SMILES Cn1c(nc2ccc(cc12)C(=O)NCCOc1ccc(F)cc1)C(F)(F)c1nc2c(F)cc(F)c(O)c2[nH]1
Show InChI InChI=1S/C25H18F5N5O3/c1-35-18-10-12(22(37)31-8-9-38-14-5-3-13(26)4-6-14)2-7-17(18)32-24(35)25(29,30)23-33-19-15(27)11-16(28)21(36)20(19)34-23/h2-7,10-11,36H,8-9H2,1H3,(H,31,37)(H,33,34)
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34n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of mast cell tryptase


Bioorg Med Chem Lett 16: 4053-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.003
BindingDB Entry DOI: 10.7270/Q26H4M69
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50475861
PNG
(CHEMBL211733)
Show SMILES Cn1c(nc2ccc(cc12)C(=O)NCCOc1ccc(F)cc1)C(F)(F)c1nc2c(F)cc(F)cc2[nH]1
Show InChI InChI=1S/C25H18F5N5O2/c1-35-20-10-13(22(36)31-8-9-37-16-5-3-14(26)4-6-16)2-7-18(20)33-24(35)25(29,30)23-32-19-12-15(27)11-17(28)21(19)34-23/h2-7,10-12H,8-9H2,1H3,(H,31,36)(H,32,34)
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300n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of mast cell tryptase


Bioorg Med Chem Lett 16: 4053-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.003
BindingDB Entry DOI: 10.7270/Q26H4M69
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50475865
PNG
(CHEMBL212765)
Show SMILES Cn1c(nc2ccc(cc12)C(=O)NCCOc1ccc(F)cc1)C(F)(F)c1nc2c(F)c(O)c(F)cc2[nH]1
Show InChI InChI=1S/C25H18F5N5O3/c1-35-18-10-12(22(37)31-8-9-38-14-5-3-13(26)4-6-14)2-7-16(18)33-24(35)25(29,30)23-32-17-11-15(27)21(36)19(28)20(17)34-23/h2-7,10-11,36H,8-9H2,1H3,(H,31,37)(H,32,34)
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1.40E+3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of mast cell tryptase


Bioorg Med Chem Lett 16: 4053-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.003
BindingDB Entry DOI: 10.7270/Q26H4M69
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50475864
PNG
(CHEMBL378085)
Show SMILES Cn1c(nc2ccc(cc12)C(N)=O)C(F)(F)c1nc2c(F)cc(F)cc2[nH]1
Show InChI InChI=1S/C17H11F4N5O/c1-26-12-4-7(14(22)27)2-3-10(12)24-16(26)17(20,21)15-23-11-6-8(18)5-9(19)13(11)25-15/h2-6H,1H3,(H2,22,27)(H,23,25)
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2.70E+3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of mast cell tryptase


Bioorg Med Chem Lett 16: 4053-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.003
BindingDB Entry DOI: 10.7270/Q26H4M69
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50475862
PNG
(CHEMBL379076)
Show SMILES Cn1c(nc2ccc(cc12)C(=O)NCCO)C(F)(F)c1nc2c(F)cc(F)cc2[nH]1
Show InChI InChI=1S/C19H15F4N5O2/c1-28-14-6-9(16(30)24-4-5-29)2-3-12(14)26-18(28)19(22,23)17-25-13-8-10(20)7-11(21)15(13)27-17/h2-3,6-8,29H,4-5H2,1H3,(H,24,30)(H,25,27)
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7.00E+3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of mast cell tryptase


Bioorg Med Chem Lett 16: 4053-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.003
BindingDB Entry DOI: 10.7270/Q26H4M69
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067563
PNG
((S)-2-{[2'-Methyl-5-(pyridin-3-yloxymethyl)-biphen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H26N2O4S/c1-17-6-3-4-8-20(17)22-14-18(16-31-19-7-5-12-26-15-19)9-10-21(22)24(28)27-23(25(29)30)11-13-32-2/h3-10,12,14-15,23H,11,13,16H2,1-2H3,(H,27,28)(H,29,30)/t23-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50067584
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076811
PNG
(CHEMBL10877 | Lithium; (S)-2-({5-[5-(4-chloro-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(Cl)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30ClNO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(34)33-28(31(35)36)15-16-39-2)18-37-19-24-12-14-29(38-24)22-8-10-23(32)11-9-22/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076809
PNG
(CHEMBL417606 | Lithium; (S)-2-({5-[5-(4-formyl-phe...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(C=O)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H31NO6S/c1-21-5-3-4-6-26(21)28-17-23(9-13-27(28)31(35)33-29(32(36)37)15-16-40-2)19-38-20-25-12-14-30(39-25)24-10-7-22(18-34)8-11-24/h3-14,17-18,29H,15-16,19-20H2,1-2H3,(H,33,35)(H,36,37)/p-1/t29-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076798
PNG
(CHEMBL273697 | Lithium; (S)-2-({5-[5-(4-fluoro-phe...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(F)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30FNO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(34)33-28(31(35)36)15-16-39-2)18-37-19-24-12-14-29(38-24)22-8-10-23(32)11-9-22/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50068561
PNG
((16E,24E,26E,28E)-1,18-Dihydroxy-12-[2-(4-hydroxy-...)
Show SMILES CO[C@@H]1C[C@H](CC(C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3O[C@](O)([C@H](C)C[C@@H]3OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
Show InChI InChI=1S/C52H81NO14/c1-30-17-13-12-14-18-31(2)41(62-8)29-45-44(64-10)26-36(7)52(61,67-45)49(58)50(59)53-22-16-15-19-38(53)51(60)66-42(33(4)25-37-20-21-39(54)43(27-37)63-9)28-40(55)32(3)24-35(6)47(57)48(65-11)46(56)34(5)23-30/h12-14,17-18,24,30,32-34,36-39,41-45,47-48,54,57,61H,15-16,19-23,25-29H2,1-11H3/b14-12+,17-13+,31-18+,35-24+/t30-,32-,33?,34-,36-,37+,38+,39-,41+,42+,43-,44+,45-,47+,48+,52-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding afifnity to FK506 binding protein 12 with an ascomycin conjugate of alkaline phosphatase in a competition binding...


Bioorg Med Chem Lett 10: 1405-8 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4GZH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50089437
PNG
(CHEMBL437064 | Rapamycin analogue)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)N(O)C(=O)Oc2ccccc2)CC[C@H]1O |c:14,33,t:29,31|
Show InChI InChI=1S/C57H82N2O15/c1-34-18-12-10-13-19-35(2)45(59(69)56(67)72-42-20-14-11-15-21-42)32-43-25-23-40(7)57(68,74-43)53(64)54(65)58-27-17-16-22-44(58)55(66)73-48(37(4)30-41-24-26-46(60)49(31-41)70-8)33-47(61)36(3)29-39(6)51(63)52(71-9)50(62)38(5)28-34/h10-15,18-21,29,34,36-38,40-41,43-46,48-49,51-52,60,63,68-69H,16-17,22-28,30-33H2,1-9H3/b13-10+,18-12+,35-19+,39-29+/t34-,36-,37-,38-,40-,41+,43+,44+,45+,46-,48+,49-,51-,52+,57-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding afifnity to FK506 binding protein 12 using Rapamycin as control, with an ascomycin conjugate of alkaline phosphat...


Bioorg Med Chem Lett 10: 1405-8 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4GZH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076802
PNG
(CHEMBL10912 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccncc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-5-3-4-6-24(20)26-17-21(7-9-25(26)29(33)32-27(30(34)35)13-16-38-2)18-36-19-23-8-10-28(37-23)22-11-14-31-15-12-22/h3-12,14-15,17,27H,13,16,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076795
PNG
(CHEMBL11210 | Lithium; (S)-2-({5-[5-(4-dimethylami...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)N(C)C)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C33H36N2O5S/c1-22-7-5-6-8-27(22)29-19-23(9-15-28(29)32(36)34-30(33(37)38)17-18-41-4)20-39-21-26-14-16-31(40-26)24-10-12-25(13-11-24)35(2)3/h5-16,19,30H,17-18,20-21H2,1-4H3,(H,34,36)(H,37,38)/p-1/t30-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076791
PNG
(CHEMBL10990 | Lithium; (S)-4-methylsulfanyl-2-{[2'...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(C)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H33NO5S/c1-21-8-11-24(12-9-21)30-15-13-25(38-30)20-37-19-23-10-14-27(28(18-23)26-7-5-4-6-22(26)2)31(34)33-29(32(35)36)16-17-39-3/h4-15,18,29H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076794
PNG
(CHEMBL276602 | Lithium; (S)-2-({5-[5-(4-isopropyl-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(C)C)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C34H37NO5S/c1-22(2)25-10-12-26(13-11-25)32-16-14-27(40-32)21-39-20-24-9-15-29(30(19-24)28-8-6-5-7-23(28)3)33(36)35-31(34(37)38)17-18-41-4/h5-16,19,22,31H,17-18,20-21H2,1-4H3,(H,35,36)(H,37,38)/p-1/t31-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076810
PNG
(CHEMBL428001 | Lithium; (S)-4-methylsulfanyl-2-({2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(F)(F)F)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H30F3NO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(37)36-28(31(38)39)15-16-42-2)18-40-19-24-12-14-29(41-24)22-8-10-23(11-9-22)32(33,34)35/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,36,37)(H,38,39)/p-1/t28-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076799
PNG
((S)-2-{[5-(5-Bromo-furan-2-ylmethoxymethyl)-2'-met...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)c1ccc(COCc2ccc(Br)o2)cc1-c1ccccc1C
Show InChI InChI=1S/C26H28BrNO5S/c1-17-6-4-5-7-20(17)22-14-18(15-32-16-19-9-11-24(27)33-19)8-10-21(22)25(29)28-23(12-13-34-3)26(30)31-2/h4-11,14,23H,12-13,15-16H2,1-3H3,(H,28,29)/t23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076792
PNG
(CHEMBL10812 | Lithium; (S)-2-({5-[5-(4-chloro-3-fl...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(Cl)c(F)c2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H29ClFNO5S/c1-19-5-3-4-6-23(19)25-15-20(7-10-24(25)30(35)34-28(31(36)37)13-14-40-2)17-38-18-22-9-12-29(39-22)21-8-11-26(32)27(33)16-21/h3-12,15-16,28H,13-14,17-18H2,1-2H3,(H,34,35)(H,36,37)/p-1/t28-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076801
PNG
(CHEMBL430096 | Lithium; (S)-2-({2'-methyl-5-[5-(3-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2cccc(c2)[N+]([O-])=O)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30N2O7S/c1-20-6-3-4-9-25(20)27-16-21(10-12-26(27)30(34)32-28(31(35)36)14-15-41-2)18-39-19-24-11-13-29(40-24)22-7-5-8-23(17-22)33(37)38/h3-13,16-17,28H,14-15,18-19H2,1-2H3,(H,32,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076797
PNG
(CHEMBL10955 | Lithium; (S)-2-{[2'-methyl-5-(5-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H31NO5S/c1-21-8-6-7-11-25(21)27-18-22(12-14-26(27)30(33)32-28(31(34)35)16-17-38-2)19-36-20-24-13-15-29(37-24)23-9-4-3-5-10-23/h3-15,18,28H,16-17,19-20H2,1-2H3,(H,32,33)(H,34,35)/p-1/t28-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076793
PNG
(CHEMBL11003 | Lithium; (S)-2-({2'-methyl-5-[5-(4-m...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(SC)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H33NO5S2/c1-21-6-4-5-7-26(21)28-18-22(8-14-27(28)31(34)33-29(32(35)36)16-17-39-2)19-37-20-24-11-15-30(38-24)23-9-12-25(40-3)13-10-23/h4-15,18,29H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076803
PNG
(CHEMBL10970 | Lithium; (S)-2-({5-[5-(2-fluoro-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccc2F)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30FNO5S/c1-20-7-3-4-8-23(20)26-17-21(11-13-24(26)30(34)33-28(31(35)36)15-16-39-2)18-37-19-22-12-14-29(38-22)25-9-5-6-10-27(25)32/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076790
PNG
(CHEMBL10902 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2cccnc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-6-3-4-8-24(20)26-16-21(9-11-25(26)29(33)32-27(30(34)35)13-15-38-2)18-36-19-23-10-12-28(37-23)22-7-5-14-31-17-22/h3-12,14,16-17,27H,13,15,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076800
PNG
(CHEMBL430307 | Lithium; (S)-2-({5-[5-(4-acetyl-phe...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(C)=O)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C33H33NO6S/c1-21-6-4-5-7-27(21)29-18-23(8-14-28(29)32(36)34-30(33(37)38)16-17-41-3)19-39-20-26-13-15-31(40-26)25-11-9-24(10-12-25)22(2)35/h4-15,18,30H,16-17,19-20H2,1-3H3,(H,34,36)(H,37,38)/p-1/t30-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076788
PNG
(CHEMBL11195 | Lithium; (S)-2-({5-[5-(3-fluoro-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2cccc(F)c2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30FNO5S/c1-20-6-3-4-9-25(20)27-16-21(10-12-26(27)30(34)33-28(31(35)36)14-15-39-2)18-37-19-24-11-13-29(38-24)22-7-5-8-23(32)17-22/h3-13,16-17,28H,14-15,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076806
PNG
(CHEMBL273265 | Lithium; (S)-2-({5-[5-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-6-4-5-7-26(21)28-18-22(8-14-27(28)31(34)33-29(32(35)36)16-17-40-3)19-38-20-25-13-15-30(39-25)23-9-11-24(37-2)12-10-23/h4-15,18,29H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076804
PNG
(CHEMBL273507 | Lithium; (S)-4-methylsulfanyl-2-({2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H30F3NO5S/c1-20-6-3-4-9-25(20)27-16-21(10-12-26(27)30(37)36-28(31(38)39)14-15-42-2)18-40-19-24-11-13-29(41-24)22-7-5-8-23(17-22)32(33,34)35/h3-13,16-17,28H,14-15,18-19H2,1-2H3,(H,36,37)(H,38,39)/p-1/t28-/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076789
PNG
(CHEMBL274672 | Lithium; (S)-4-methylsulfanyl-2-({2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccc2C(F)(F)F)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H30F3NO5S/c1-20-7-3-4-8-23(20)26-17-21(11-13-24(26)30(37)36-28(31(38)39)15-16-42-2)18-40-19-22-12-14-29(41-22)25-9-5-6-10-27(25)32(33,34)35/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,36,37)(H,38,39)/p-1/t28-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076807
PNG
(CHEMBL273721 | Lithium; (S)-2-({5-[5-(3-methoxy-ph...)
Show SMILES COc1cccc(c1)-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-7-4-5-10-26(21)28-17-22(11-13-27(28)31(34)33-29(32(35)36)15-16-40-3)19-38-20-25-12-14-30(39-25)23-8-6-9-24(18-23)37-2/h4-14,17-18,29H,15-16,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50089447
PNG
(CHEMBL281297 | Rapamycin analogue)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O |c:14,33,t:29,31|
Show InChI InChI=1S/C50H77NO13/c1-29-15-11-10-12-16-30(2)40(53)27-37-20-18-35(7)50(60,64-37)47(57)48(58)51-22-14-13-17-38(51)49(59)63-42(32(4)25-36-19-21-39(52)43(26-36)61-8)28-41(54)31(3)24-34(6)45(56)46(62-9)44(55)33(5)23-29/h10-12,15-16,24,29,31-33,35-40,42-43,45-46,52-53,56,60H,13-14,17-23,25-28H2,1-9H3/b12-10+,15-11+,30-16+,34-24+/t29-,31-,32-,33-,35-,36+,37+,38+,39-,40-,42+,43-,45-,46+,50-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding afifnity to FK506 binding protein 12 using Rapamycin as control, with an ascomycin conjugate of alkaline phosphat...


Bioorg Med Chem Lett 10: 1405-8 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4GZH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076808
PNG
(CHEMBL10762 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccn2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-7-3-4-8-23(20)25-17-21(10-12-24(25)29(33)32-27(30(34)35)14-16-38-2)18-36-19-22-11-13-28(37-22)26-9-5-6-15-31-26/h3-13,15,17,27H,14,16,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076813
PNG
(CHEMBL10687 | Lithium; (S)-2-({5-[5-(2-methoxy-phe...)
Show SMILES COc1ccccc1-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-8-4-5-9-24(21)27-18-22(12-14-25(27)31(34)33-28(32(35)36)16-17-40-3)19-38-20-23-13-15-30(39-23)26-10-6-7-11-29(26)37-2/h4-15,18,28H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076812
PNG
((S)-2-[(5-{[(Furan-2-ylmethyl)-amino]-methyl}-biph...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CNCc2ccco2)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H26N2O4S/c1-31-13-11-22(24(28)29)26-23(27)20-10-9-17(15-25-16-19-8-5-12-30-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14,22,25H,11,13,15-16H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50089429
PNG
(4-[2-(1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,2...)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)CCCC\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)N1CCOCC1 |c:14,33|
Show InChI InChI=1S/C56H90N2O15/c1-34-16-12-11-13-17-35(2)46(67-8)32-42-21-19-40(7)56(66,73-42)52(62)53(63)58-23-15-14-18-43(58)54(64)71-47(33-44(59)36(3)29-39(6)50(61)51(69-10)49(60)38(5)28-34)37(4)30-41-20-22-45(48(31-41)68-9)72-55(65)57-24-26-70-27-25-57/h17,29,34,36-38,40-43,45-48,50-51,61,66H,11-16,18-28,30-33H2,1-10H3/b35-17+,39-29+/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,50-,51+,56-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding afifnity to FK506 binding protein 12 using Rapamycin as control, with an ascomycin conjugate of alkaline phosphat...


Bioorg Med Chem Lett 10: 1405-8 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4GZH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50089432
PNG
(1,18-dihydroxy-19,30-dimethoxy-12-{2-[3-methoxy-4-...)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)CCCC\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)N(C)OC |c:14,33|
Show InChI InChI=1S/C54H88N2O15/c1-32-18-14-13-15-19-33(2)44(65-9)30-40-23-21-38(7)54(64,71-40)50(60)51(61)56-25-17-16-20-41(56)52(62)69-45(31-42(57)34(3)27-37(6)48(59)49(67-11)47(58)36(5)26-32)35(4)28-39-22-24-43(46(29-39)66-10)70-53(63)55(8)68-12/h19,27,32,34-36,38-41,43-46,48-49,59,64H,13-18,20-26,28-31H2,1-12H3/b33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,54-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding afifnity to FK506 binding protein 12 using Rapamycin as control, with an ascomycin conjugate of alkaline phosphat...


Bioorg Med Chem Lett 10: 1405-8 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4GZH
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076805
PNG
((S)-4-Methylsulfanyl-2-[(5-phenoxymethyl-biphenyl-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COc2ccccc2)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H25NO4S/c1-31-15-14-23(25(28)29)26-24(27)21-13-12-18(17-30-20-10-6-3-7-11-20)16-22(21)19-8-4-2-5-9-19/h2-13,16,23H,14-15,17H2,1H3,(H,26,27)(H,28,29)/t23-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076793
PNG
(CHEMBL11003 | Lithium; (S)-2-({2'-methyl-5-[5-(4-m...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(SC)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H33NO5S2/c1-21-6-4-5-7-26(21)28-18-22(8-14-27(28)31(34)33-29(32(35)36)16-17-39-2)19-37-20-24-11-15-30(38-24)23-9-12-25(40-3)13-10-23/h4-15,18,29H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076794
PNG
(CHEMBL276602 | Lithium; (S)-2-({5-[5-(4-isopropyl-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(C)C)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C34H37NO5S/c1-22(2)25-10-12-26(13-11-25)32-16-14-27(40-32)21-39-20-24-9-15-29(30(19-24)28-8-6-5-7-23(28)3)33(36)35-31(34(37)38)17-18-41-4/h5-16,19,22,31H,17-18,20-21H2,1-4H3,(H,35,36)(H,37,38)/p-1/t31-/m0/s1
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n/an/an/an/a 0.780n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076788
PNG
(CHEMBL11195 | Lithium; (S)-2-({5-[5-(3-fluoro-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2cccc(F)c2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30FNO5S/c1-20-6-3-4-9-25(20)27-16-21(10-12-26(27)30(34)33-28(31(35)36)14-15-39-2)18-37-19-24-11-13-29(38-24)22-7-5-8-23(32)17-22/h3-13,16-17,28H,14-15,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076798
PNG
(CHEMBL273697 | Lithium; (S)-2-({5-[5-(4-fluoro-phe...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(F)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30FNO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(34)33-28(31(35)36)15-16-39-2)18-37-19-24-12-14-29(38-24)22-8-10-23(32)11-9-22/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076809
PNG
(CHEMBL417606 | Lithium; (S)-2-({5-[5-(4-formyl-phe...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(C=O)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H31NO6S/c1-21-5-3-4-6-26(21)28-17-23(9-13-27(28)31(35)33-29(32(36)37)15-16-40-2)19-38-20-25-12-14-30(39-25)24-10-7-22(18-34)8-11-24/h3-14,17-18,29H,15-16,19-20H2,1-2H3,(H,33,35)(H,36,37)/p-1/t29-/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076803
PNG
(CHEMBL10970 | Lithium; (S)-2-({5-[5-(2-fluoro-phen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccc2F)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C31H30FNO5S/c1-20-7-3-4-8-23(20)26-17-21(11-13-24(26)30(34)33-28(31(35)36)15-16-39-2)18-37-19-22-12-14-29(38-22)25-9-5-6-10-27(25)32/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076791
PNG
(CHEMBL10990 | Lithium; (S)-4-methylsulfanyl-2-{[2'...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(C)cc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H33NO5S/c1-21-8-11-24(12-9-21)30-15-13-25(38-30)20-37-19-23-10-14-27(28(18-23)26-7-5-4-6-22(26)2)31(34)33-29(32(35)36)16-17-39-3/h4-15,18,29H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076813
PNG
(CHEMBL10687 | Lithium; (S)-2-({5-[5-(2-methoxy-phe...)
Show SMILES COc1ccccc1-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-8-4-5-9-24(21)27-18-22(12-14-25(27)31(34)33-28(32(35)36)16-17-40-3)19-38-20-23-13-15-30(39-23)26-10-6-7-11-29(26)37-2/h4-15,18,28H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076807
PNG
(CHEMBL273721 | Lithium; (S)-2-({5-[5-(3-methoxy-ph...)
Show SMILES COc1cccc(c1)-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-7-4-5-10-26(21)28-17-22(11-13-27(28)31(34)33-29(32(35)36)15-16-40-3)19-38-20-25-12-14-30(39-25)23-8-6-9-24(18-23)37-2/h4-14,17-18,29H,15-16,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076808
PNG
(CHEMBL10762 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccn2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-7-3-4-8-23(20)25-17-21(10-12-24(25)29(33)32-27(30(34)35)14-16-38-2)18-36-19-22-11-13-28(37-22)26-9-5-6-15-31-26/h3-13,15,17,27H,14,16,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
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n/an/an/an/a>0.300n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076810
PNG
(CHEMBL428001 | Lithium; (S)-4-methylsulfanyl-2-({2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(F)(F)F)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C32H30F3NO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(37)36-28(31(38)39)15-16-42-2)18-40-19-24-12-14-29(41-24)22-8-10-23(11-9-22)32(33,34)35/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,36,37)(H,38,39)/p-1/t28-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076802
PNG
(CHEMBL10912 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccncc2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-5-3-4-6-24(20)26-17-21(7-9-25(26)29(33)32-27(30(34)35)13-16-38-2)18-36-19-23-8-10-28(37-23)22-11-14-31-15-12-22/h3-12,14-15,17,27H,13,16,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
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PubMed
n/an/an/an/a>0.300n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
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