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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'feild' and Initial = 'ja'   
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
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292494
PNG
(CHEMBL485064 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H20N5O13P3/c17-14-11-15(19-7-18-14)21(8-20-11)16-13(23)12(22)10(31-16)6-30-35(24,25)33-37(28,29)34-36(26,27)32-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,24,25)(H,26,27)(H,28,29)(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus


J Med Chem 31: 1768-72 (1988)


BindingDB Entry DOI: 10.7270/Q2833SMV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292480
PNG
(CHEMBL445698 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1 |r|
Show InChI InChI=1S/C17H24N6O15P4/c1-9-2-4-10(5-3-9)22-39(26,27)36-41(30,31)38-42(32,33)37-40(28,29)34-6-11-13(24)14(25)17(35-11)23-8-21-12-15(18)19-7-20-16(12)23/h2-5,7-8,11,13-14,17,24-25H,6H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus


J Med Chem 31: 1768-72 (1988)


BindingDB Entry DOI: 10.7270/Q2833SMV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292496
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H22N6O7S/c24-20-17-21(26-11-25-20)29(12-27-17)22-19(31)18(30)16(36-22)10-35-23(32)13-6-8-15(9-7-13)37(33,34)28-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,28,30-31H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292482
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES CC(=O)NCCNP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H24N7O13P3/c1-7(22)16-2-3-20-35(25,26)33-37(29,30)34-36(27,28)31-4-8-10(23)11(24)14(32-8)21-6-19-9-12(15)17-5-18-13(9)21/h5-6,8,10-11,14,23-24H,2-4H2,1H3,(H,16,22)(H,27,28)(H,29,30)(H2,15,17,18)(H2,20,25,26)/t8-,10-,11-,14-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus


J Med Chem 31: 1768-72 (1988)


BindingDB Entry DOI: 10.7270/Q2833SMV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292483
PNG
(CHEMBL520527 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)Oc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H21N5O16P4/c17-14-11-15(19-7-18-14)21(8-20-11)16-13(23)12(22)10(33-16)6-32-38(24,25)35-40(28,29)37-41(30,31)36-39(26,27)34-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus


J Med Chem 31: 1768-72 (1988)


BindingDB Entry DOI: 10.7270/Q2833SMV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292484
PNG
(CHEMBL509039 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES CC(=O)NC(Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O |r|
Show InChI InChI=1S/C21H29N8O14P3/c1-10(30)27-13(19(23)33)6-11-2-4-12(5-3-11)28-44(34,35)42-46(38,39)43-45(36,37)40-7-14-16(31)17(32)21(41-14)29-9-26-15-18(22)24-8-25-20(15)29/h2-5,8-9,13-14,16-17,21,31-32H,6-7H2,1H3,(H2,23,33)(H,27,30)(H,36,37)(H,38,39)(H2,22,24,25)(H2,28,34,35)/t13?,14-,16-,17-,21-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus


J Med Chem 31: 1768-72 (1988)


BindingDB Entry DOI: 10.7270/Q2833SMV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292486
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)NCc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H24N6O7S/c25-21-18-22(27-12-26-21)30(13-28-18)23-20(32)19(31)17(37-23)11-36-24(33)15-6-8-16(9-7-15)38(34,35)29-10-14-4-2-1-3-5-14/h1-9,12-13,17,19-20,23,29,31-32H,10-11H2,(H2,25,26,27)/t17-,19-,20-,23-/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292487
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C25H26N6O7S/c26-22-19-23(28-13-27-22)31(14-29-19)24-21(33)20(32)18(38-24)12-37-25(34)16-6-8-17(9-7-16)39(35,36)30-11-10-15-4-2-1-3-5-15/h1-9,13-14,18,20-21,24,30,32-33H,10-12H2,(H2,26,27,28)/t18-,20-,21-,24-/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292489
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)NCCCc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C26H28N6O7S/c27-23-20-24(29-14-28-23)32(15-30-20)25-22(34)21(33)19(39-25)13-38-26(35)17-8-10-18(11-9-17)40(36,37)31-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,14-15,19,21-22,25,31,33-34H,4,7,12-13H2,(H2,27,28,29)/t19-,21-,22-,25-/m1/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292490
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C18H19N5O7S/c1-31(27,28)10-4-2-9(3-5-10)18(26)29-6-11-13(24)14(25)17(30-11)23-8-22-12-15(19)20-7-21-16(12)23/h2-5,7-8,11,13-14,17,24-25H,6H2,1H3,(H2,19,20,21)/t11-,13-,14-,17-/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50367766
PNG
(CHEMBL608279)
Show SMILES COc1ccc(CNP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1 |r|
Show InChI InChI=1S/C18H25N6O13P3/c1-33-11-4-2-10(3-5-11)6-23-38(27,28)36-40(31,32)37-39(29,30)34-7-12-14(25)15(26)18(35-12)24-9-22-13-16(19)20-8-21-17(13)24/h2-5,8-9,12,14-15,18,25-26H,6-7H2,1H3,(H,29,30)(H,31,32)(H2,19,20,21)(H2,23,27,28)/t12-,14-,15-,18?/m1/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus


J Med Chem 31: 1768-72 (1988)


BindingDB Entry DOI: 10.7270/Q2833SMV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292493
PNG
(CHEMBL452973 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES CC(=O)NC(Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O |r|
Show InChI InChI=1S/C21H30N8O17P4/c1-10(30)27-13(19(23)33)6-11-2-4-12(5-3-11)28-47(34,35)44-49(38,39)46-50(40,41)45-48(36,37)42-7-14-16(31)17(32)21(43-14)29-9-26-15-18(22)24-8-25-20(15)29/h2-5,8-9,13-14,16-17,21,31-32H,6-7H2,1H3,(H2,23,33)(H,27,30)(H,36,37)(H,38,39)(H,40,41)(H2,22,24,25)(H2,28,34,35)/t13?,14-,16-,17-,21-/m1/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus


J Med Chem 31: 1768-72 (1988)


BindingDB Entry DOI: 10.7270/Q2833SMV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292492
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES CC(=O)NC(Cc1ccc(OS(=O)(=O)c2ccc(cc2)C(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O |r|
Show InChI InChI=1S/C28H29N7O10S/c1-14(36)34-19(25(30)39)10-15-2-6-17(7-3-15)45-46(41,42)18-8-4-16(5-9-18)28(40)43-11-20-22(37)23(38)27(44-20)35-13-33-21-24(29)31-12-32-26(21)35/h2-9,12-13,19-20,22-23,27,37-38H,10-11H2,1H3,(H2,30,39)(H,34,36)(H2,29,31,32)/t19?,20-,22-,23-,27-/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292491
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H18N6O7S/c18-14-11-15(21-6-20-14)23(7-22-11)16-13(25)12(24)10(30-16)5-29-17(26)8-1-3-9(4-2-8)31(19,27)28/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,18,20,21)(H2,19,27,28)/t10-,12-,13-,16-/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292498
PNG
(CHEMBL486679 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1 |r|
Show InChI InChI=1S/C17H23N6O12P3/c1-9-2-4-10(5-3-9)22-36(26,27)34-38(30,31)35-37(28,29)32-6-11-13(24)14(25)17(33-11)23-8-21-12-15(18)19-7-20-16(12)23/h2-5,7-8,11,13-14,17,24-25H,6H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus


J Med Chem 31: 1768-72 (1988)


BindingDB Entry DOI: 10.7270/Q2833SMV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292495
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H16FN5O7S/c18-31(27,28)9-3-1-8(2-4-9)17(26)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,19,20,21)/t10-,12-,13-,16-/m1/s1
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PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM50292497
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)Oc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H21N5O8S/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(30)18(29)16(35-22)10-34-23(31)13-6-8-15(9-7-13)37(32,33)36-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,29-30H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)


J Med Chem 31: 1762-7 (1988)


BindingDB Entry DOI: 10.7270/Q2CV4JB8
More data for this
Ligand-Target Pair