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10 similar compounds to monomer 50292495

Compile data set for download or QSAR
Wt: 385.4
BDBM50069319
Wt: 385.4
BDBM50069320
Wt: 526.5
BDBM50292496
Wt: 527.5
BDBM50292497
Wt: 540.5
BDBM50292486
Wt: 554.5
BDBM50292487
Wt: 568.6
BDBM50292489
Wt: 449.4
BDBM50292490
Wt: 450.4
BDBM50292491
Wt: 469.4
BDBM50368827

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50069319,50069320,50292496,50292497,50292486,50292487,50292489,50292490,50292491,50368827   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine A1 receptor


(BOVINE)
BDBM50069319
PNG
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes without GTP


J Med Chem 45: 4875-87 (2002)


Article DOI: 10.1021/jm0209580
BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50069319
PNG
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
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19.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes with 1 mM GTP


J Med Chem 45: 4875-87 (2002)


Article DOI: 10.1021/jm0209580
BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50368827
PNG
(CHEMBL606330)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16FN5O8S/c18-32(28,29)8-3-1-7(2-4-8)16(27)30-5-9-11(24)12(25)15(31-9)23-6-20-10-13(23)21-17(19)22-14(10)26/h1-4,6,9,11-12,15,24-25H,5H2,(H3,19,21,22,26)/t9-,11-,12-,15?/m1/s1
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9.30E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


Article DOI: 10.1021/jm00060a010
BindingDB Entry DOI: 10.7270/Q2CV4JCQ
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
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 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
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
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 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
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
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
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50069319
PNG
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
[S]GTP gamma-S binding against adenosine A1 receptor in rat brain


Bioorg Med Chem Lett 8: 691-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00102-4
BindingDB Entry DOI: 10.7270/Q21Z44Z9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50069320
PNG
((2S,3S,4S,5S)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14+,15-,18-/m0/s1
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n/an/an/an/a 869n/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding against human adenosine A1 receptor


Bioorg Med Chem Lett 8: 691-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00102-4
BindingDB Entry DOI: 10.7270/Q21Z44Z9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50069319
PNG
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding against human adenosine A1 receptor


Bioorg Med Chem Lett 8: 691-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00102-4
BindingDB Entry DOI: 10.7270/Q21Z44Z9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50069320
PNG
((2S,3S,4S,5S)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)
Show SMILES CC(C)(OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14+,15-,18-/m0/s1
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n/an/an/an/a 1.23E+3n/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
[S]GTP gamma-S binding against adenosine A1 receptor in rat brain


Bioorg Med Chem Lett 8: 691-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00102-4
BindingDB Entry DOI: 10.7270/Q21Z44Z9
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
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)


Article DOI: 10.1021/jm00117a015
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
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)


Article DOI: 10.1021/jm00117a015
BindingDB Entry DOI: 10.7270/Q2CV4JB8
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
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)


Article DOI: 10.1021/jm00117a015
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
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
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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)


Article DOI: 10.1021/jm00117a015
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
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)


Article DOI: 10.1021/jm00117a015
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
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)


Article DOI: 10.1021/jm00117a015
BindingDB Entry DOI: 10.7270/Q2CV4JB8
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
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)


Article DOI: 10.1021/jm00117a015
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
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 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
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
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 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
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
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 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
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
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 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair