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PubMed code 3045321

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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)		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)		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)		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
* indicates data uncertainty>20%