Found 49 hits with Last Name = 'machida' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217841
(REVEROMYCIN A)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1 | GoogleScholar
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MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.97 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50217841
(REVEROMYCIN A)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.46 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479281
(2,3-DIHYDROREVEROMYCIN A)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)CCC(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C36H54O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-10,12,14,23,26-30,37H,6-7,11,13,15-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17.5 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479274
(4-HYDROXY REVEROMYCIN A)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](O)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C35H50O12/c1-5-6-18-34(47-33(44)16-15-31(40)41)20-21-35(46-29(34)13-9-24(3)22-32(42)43)19-17-25(4)28(45-35)12-8-23(2)7-10-26(36)27(37)11-14-30(38)39/h7-11,13-14,22,25-29,36-37H,5-6,12,15-21H2,1-4H3,(H,38,39)(H,40,41)(H,42,43)/b10-7+,13-9+,14-11+,23-8+,24-22+/t25-,26-,27-,28+,29-,34+,35-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21.7 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479284
(CHEMBL442945)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)CO)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C34H52O10/c1-6-7-17-33(44-32(41)15-14-30(37)38)19-20-34(43-29(33)13-10-24(3)21-31(39)40)18-16-25(4)28(42-34)12-9-23(2)8-11-27(36)26(5)22-35/h8-11,13,21,25-29,35-36H,6-7,12,14-20,22H2,1-5H3,(H,37,38)(H,39,40)/b11-8+,13-10+,23-9+,24-21+/t25-,26-,27-,28+,29-,33+,34-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36.9 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217935
(CHEMBL114859)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C33H50O8/c1-7-8-18-32(39-6)20-21-33(41-29(32)15-11-24(3)22-31(37)38)19-17-26(5)28(40-33)14-10-23(2)9-13-27(34)25(4)12-16-30(35)36/h9-13,15-16,22,25-29,34H,7-8,14,17-21H2,1-6H3,(H,35,36)(H,37,38)/b13-9+,15-11+,16-12+,23-10+,24-22+/t25-,26-,27-,28+,29-,32+,33-/m0/s1 | GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44.4 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217844
(CHEMBL115953)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@](O)(CCCC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C32H48O8/c1-6-7-17-31(38)19-20-32(40-28(31)14-10-23(3)21-30(36)37)18-16-25(5)27(39-32)13-9-22(2)8-12-26(33)24(4)11-15-29(34)35/h8-12,14-15,21,24-28,33,38H,6-7,13,16-20H2,1-5H3,(H,34,35)(H,36,37)/b12-8+,14-10+,15-11+,22-9+,23-21+/t24-,25-,26-,27+,28-,31+,32-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 74.4 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479277
(2,3-DIHYDRO-5-EPIREVEROMYCIN A)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@@H](O)[C@@H](C)CCC(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C36H54O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-10,12,14,23,26-30,37H,6-7,11,13,15-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,24-9+,25-23+/t26-,27-,28+,29+,30-,35+,36-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50217935
(CHEMBL114859)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C33H50O8/c1-7-8-18-32(39-6)20-21-33(41-29(32)15-11-24(3)22-31(37)38)19-17-26(5)28(40-33)14-10-23(2)9-13-27(34)25(4)12-16-30(35)36/h9-13,15-16,22,25-29,34H,7-8,14,17-21H2,1-6H3,(H,35,36)(H,37,38)/b13-9+,15-11+,16-12+,23-10+,24-22+/t25-,26-,27-,28+,29-,32+,33-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217934
(CHEMBL321686)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C=C\C(O)=O Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-17-32(40)41)23-24-36(46-30(35)10-8-9-11-31(38)39)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-18-33(42)44-5/h8-15,18,26-30,37H,6-7,16-17,19-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,18-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50217844
(CHEMBL115953)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@](O)(CCCC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C32H48O8/c1-6-7-17-31(38)19-20-32(40-28(31)14-10-23(3)21-30(36)37)18-16-25(5)27(39-32)13-9-22(2)8-12-26(33)24(4)11-15-29(34)35/h8-12,14-15,21,24-28,33,38H,6-7,13,16-20H2,1-5H3,(H,34,35)(H,36,37)/b12-8+,14-10+,15-11+,22-9+,23-21+/t24-,25-,26-,27+,28-,31+,32-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217938
(CHEMBL112182)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C=C\C(O)=O Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-18-33(42)44-5)23-24-36(46-30(35)10-8-9-11-31(38)39)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-17-32(40)41/h8-15,17,26-30,37H,6-7,16,18-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,17-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217849
(CHEMBL115317)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](OC)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C37H54O11/c1-7-8-20-36(48-35(44)18-17-33(40)41)22-23-37(47-31(36)15-11-26(3)24-34(42)43)21-19-28(5)30(46-37)14-10-25(2)9-13-29(45-6)27(4)12-16-32(38)39/h9-13,15-16,24,27-31H,7-8,14,17-23H2,1-6H3,(H,38,39)(H,40,41)(H,42,43)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,29-,30+,31-,36+,37-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479282
(CHEMBL505238)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C37H54O11/c1-7-8-20-36(48-35(44)18-16-32(39)40)22-23-37(47-31(36)15-11-26(3)24-33(41)42)21-19-28(5)30(46-37)14-10-25(2)9-13-29(38)27(4)12-17-34(43)45-6/h9-13,15,17,24,27-31,38H,7-8,14,16,18-23H2,1-6H3,(H,39,40)(H,41,42)/b13-9+,15-11+,17-12+,25-10+,26-24+/t27-,28-,29-,30+,31-,36+,37-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217839
(CHEMBL327131)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OCSC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C34H52O8S/c1-7-8-18-33(40-23-43-6)20-21-34(42-30(33)15-11-25(3)22-32(38)39)19-17-27(5)29(41-34)14-10-24(2)9-13-28(35)26(4)12-16-31(36)37/h9-13,15-16,22,26-30,35H,7-8,14,17-21,23H2,1-6H3,(H,36,37)(H,38,39)/b13-9+,15-11+,16-12+,24-10+,25-22+/t26-,27-,28-,29+,30-,33+,34-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 353 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479276
(CHEMBL461144)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C37H54O11/c1-7-8-20-36(48-35(44)18-17-34(43)45-6)22-23-37(47-31(36)15-11-26(3)24-33(41)42)21-19-28(5)30(46-37)14-10-25(2)9-13-29(38)27(4)12-16-32(39)40/h9-13,15-16,24,27-31,38H,7-8,14,17-23H2,1-6H3,(H,39,40)(H,41,42)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,29-,30+,31-,36+,37-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 433 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50217849
(CHEMBL115317)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](OC)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C37H54O11/c1-7-8-20-36(48-35(44)18-17-33(40)41)22-23-37(47-31(36)15-11-26(3)24-34(42)43)21-19-28(5)30(46-37)14-10-25(2)9-13-29(45-6)27(4)12-16-32(38)39/h9-13,15-16,24,27-31H,7-8,14,17-23H2,1-6H3,(H,38,39)(H,40,41)(H,42,43)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,29-,30+,31-,36+,37-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 554 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479275
(5-EPIREVEROMYCIN A)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28+,29+,30-,35+,36-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 572 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217846
(CHEMBL332420)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C=C\C(=O)OC Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-18-32(40)41)23-24-36(46-30(35)10-8-9-11-33(42)44-5)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-17-31(38)39/h8-15,17,26-30,37H,6-7,16,18-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,17-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 742 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50217839
(CHEMBL327131)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OCSC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C34H52O8S/c1-7-8-18-33(40-23-43-6)20-21-34(42-30(33)15-11-25(3)22-32(38)39)19-17-27(5)29(41-34)14-10-24(2)9-13-28(35)26(4)12-16-31(36)37/h9-13,15-16,22,26-30,35H,7-8,14,17-21,23H2,1-6H3,(H,36,37)(H,38,39)/b13-9+,15-11+,16-12+,24-10+,25-22+/t26-,27-,28-,29+,30-,33+,34-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 801 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479273
(CHEMBL498825)Show SMILES [H][C@]1(C\C=C(/C)\C=C\CO)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C31H46O9/c1-5-6-16-30(40-29(37)14-13-27(33)34)18-19-31(39-26(30)12-10-23(3)21-28(35)36)17-15-24(4)25(38-31)11-9-22(2)8-7-20-32/h7-10,12,21,24-26,32H,5-6,11,13-20H2,1-4H3,(H,33,34)(H,35,36)/b8-7+,12-10+,22-9+,23-21+/t24-,25+,26-,30+,31-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 995 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479280
(SPIROFUNGIN A)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@H](C)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C29H42O7/c1-19(6-10-24(30)21(3)9-13-27(31)32)7-11-25-22(4)14-16-29(35-25)17-15-23(5)26(36-29)12-8-20(2)18-28(33)34/h6-10,12-13,18,21-26,30H,11,14-17H2,1-5H3,(H,31,32)(H,33,34)/b10-6+,12-8+,13-9+,19-7+,20-18+/t21-,22-,23-,24-,25+,26-,29-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479272
(CHEMBL455272)Show SMILES [H][C@]1([#6]\[#6]=[#6](/[#6])\[#6]=[#6]\[#6@H](-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6@@H](-[#6])\[#6]=[#6]\[#6](-[#8])=O)[#8][C@]2([#6]-[#6]-[#6@@H]1-[#6])[#6]-[#6][C@@]([#6]-[#6]-[#6]-[#6])([#8]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)[C@@]([H])([#8]2)\[#6]=[#6]\[#6](\[#6])=[#6]\[#6](-[#8])=O |r| Show InChI InChI=1S/C42H66O11Si/c1-11-12-24-41(52-39(49)22-21-37(45)46)26-27-42(51-35(41)19-15-30(3)28-38(47)48)25-23-32(5)33(50-42)17-13-29(2)14-18-34(31(4)16-20-36(43)44)53-54(9,10)40(6,7)8/h13-16,18-20,28,31-35H,11-12,17,21-27H2,1-10H3,(H,43,44)(H,45,46)(H,47,48)/b18-14+,19-15+,20-16+,29-13+,30-28+/t31-,32-,33+,34-,35-,41+,42-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217933
(CHEMBL115057)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O[SiH2]C(C)(C)C)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C40H62O11Si/c1-9-10-22-39(50-37(47)20-19-35(43)44)24-25-40(49-33(39)17-13-28(3)26-36(45)46)23-21-30(5)31(48-40)15-11-27(2)12-16-32(51-52-38(6,7)8)29(4)14-18-34(41)42/h11-14,16-18,26,29-33H,9-10,15,19-25,52H2,1-8H3,(H,41,42)(H,43,44)(H,45,46)/b16-12+,17-13+,18-14+,27-11+,28-26+/t29-,30-,31+,32-,33-,39+,40-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217937
(CHEMBL114949)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](OC(C)=O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C38H54O12/c1-7-8-20-37(50-36(46)18-17-34(42)43)22-23-38(49-32(37)15-11-26(3)24-35(44)45)21-19-28(5)31(48-38)14-10-25(2)9-13-30(47-29(6)39)27(4)12-16-33(40)41/h9-13,15-16,24,27-28,30-32H,7-8,14,17-23H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,30-,31+,32-,37+,38-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217840
(CHEMBL324768)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(=O)OC Show InChI InChI=1S/C39H58O11/c1-9-10-22-38(50-36(43)20-19-35(42)46-7)24-25-39(49-33(38)17-13-28(3)26-37(44)47-8)23-21-30(5)32(48-39)16-12-27(2)11-15-31(40)29(4)14-18-34(41)45-6/h11-15,17-18,26,29-33,40H,9-10,16,19-25H2,1-8H3/b15-11+,17-13+,18-14+,27-12+,28-26+/t29-,30-,31-,32+,33-,38+,39-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50217937
(CHEMBL114949)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](OC(C)=O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C38H54O12/c1-7-8-20-37(50-36(46)18-17-34(42)43)22-23-38(49-32(37)15-11-26(3)24-35(44)45)21-19-28(5)31(48-38)14-10-25(2)9-13-30(47-29(6)39)27(4)12-16-33(40)41/h9-13,15-16,24,27-28,30-32H,7-8,14,17-23H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,30-,31+,32-,37+,38-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217932
(CHEMBL115260)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C38H56O11/c1-8-9-21-37(49-36(44)19-18-35(43)46-7)23-24-38(48-32(37)16-12-27(3)25-33(40)41)22-20-29(5)31(47-38)15-11-26(2)10-14-30(39)28(4)13-17-34(42)45-6/h10-14,16-17,25,28-32,39H,8-9,15,18-24H2,1-7H3,(H,40,41)/b14-10+,16-12+,17-13+,26-11+,27-25+/t28-,29-,30-,31+,32-,37+,38-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217845
(CHEMBL324327)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C=C\C(=O)OC Show InChI InChI=1S/C37H54O11/c1-7-8-22-36(48-35(43)20-19-34(42)45-6)24-25-37(47-31(36)11-9-10-12-33(41)44-5)23-21-28(4)30(46-37)17-14-26(2)13-16-29(38)27(3)15-18-32(39)40/h9-16,18,27-31,38H,7-8,17,19-25H2,1-6H3,(H,39,40)/b11-9+,12-10+,16-13+,18-15+,26-14+/t27-,28-,29-,30+,31-,36+,37-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217843
(CHEMBL115081)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C=C\C(=O)OC Show InChI InChI=1S/C37H54O11/c1-7-8-22-36(48-35(43)20-18-32(39)40)24-25-37(47-31(36)11-9-10-12-33(41)44-5)23-21-28(4)30(46-37)17-14-26(2)13-16-29(38)27(3)15-19-34(42)45-6/h9-16,19,27-31,38H,7-8,17-18,20-25H2,1-6H3,(H,39,40)/b11-9+,12-10+,16-13+,19-15+,26-14+/t27-,28-,29-,30+,31-,36+,37-/m0/s1 | GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479279
(CHEMBL510665)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(=O)OC |r| Show InChI InChI=1S/C37H54O11/c1-7-8-20-36(48-34(43)18-17-33(41)42)22-23-37(47-31(36)15-11-26(3)24-35(44)45-6)21-19-28(5)30(46-37)14-10-25(2)9-13-29(38)27(4)12-16-32(39)40/h9-13,15-16,24,27-31,38H,7-8,14,17-23H2,1-6H3,(H,39,40)(H,41,42)/b13-9+,15-11+,16-12+,25-10+,26-24+/t27-,28-,29-,30+,31-,36+,37-/m0/s1 | Reactome pathway
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| n/a | n/a | >1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217936
(CHEMBL115949)Show SMILES [H][C@]1(CCC(C)CC[C@H](O)[C@@H](C)CCC(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@]([H])(CCC(C)CC(O)=O)O2 Show InChI InChI=1S/C36H62O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h24-30,37H,6-23H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/t24?,25?,26-,27-,28-,29+,30-,35+,36-/m0/s1 | GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217842
(REVEROMYCIN B)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](OC(=O)CCC(O)=O)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C |r| Show InChI InChI=1S/C36H52O11/c1-6-7-19-35(30(14-10-25(3)23-33(42)43)45-34(44)17-16-32(40)41)21-22-36(47-35)20-18-27(5)29(46-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1 | GoogleScholar
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| n/a | n/a | <1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50217842
(REVEROMYCIN B)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](OC(=O)CCC(O)=O)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C |r| Show InChI InChI=1S/C36H52O11/c1-6-7-19-35(30(14-10-25(3)23-33(42)43)45-34(44)17-16-32(40)41)21-22-36(47-35)20-18-27(5)29(46-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1 | Reactome pathway
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| n/a | n/a | >1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479270
(CHEMBL499655)Show SMILES [H][C@]1(C\C=C(/C)COC(=O)CCC(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C33H48O12/c1-5-6-16-32(45-31(41)14-12-28(36)37)18-19-33(44-26(32)10-8-22(2)20-29(38)39)17-15-24(4)25(43-33)9-7-23(3)21-42-30(40)13-11-27(34)35/h7-8,10,20,24-26H,5-6,9,11-19,21H2,1-4H3,(H,34,35)(H,36,37)(H,38,39)/b10-8+,22-20+,23-7+/t24-,25+,26-,32+,33-/m0/s1 | Reactome pathway
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| PC cid
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| Article
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| n/a | n/a | >1.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217848
(CHEMBL326691)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OCSC)[C@@]([H])(O2)\C=C\C(\C)=C\C(=O)OC Show InChI InChI=1S/C35H54O8S/c1-8-9-19-34(41-24-44-7)21-22-35(43-31(34)16-12-26(3)23-33(39)40-6)20-18-28(5)30(42-35)15-11-25(2)10-14-29(36)27(4)13-17-32(37)38/h10-14,16-17,23,27-31,36H,8-9,15,18-22,24H2,1-7H3,(H,37,38)/b14-10+,16-12+,17-13+,25-11+,26-23+/t27-,28-,29-,30+,31-,34+,35-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | <1.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479283
(CHEMBL508146)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](OC(=O)CCC(O)=O)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@H](C)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C33H46O10/c1-21(6-10-26(23(3)9-13-29(34)35)41-32(40)15-14-30(36)37)7-11-27-24(4)16-18-33(42-27)19-17-25(5)28(43-33)12-8-22(2)20-31(38)39/h6-10,12-13,20,23-28H,11,14-19H2,1-5H3,(H,34,35)(H,36,37)(H,38,39)/b10-6+,12-8+,13-9+,21-7+,22-20+/t23-,24-,25-,26-,27+,28-,33-/m0/s1 | Reactome pathway
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| PC cid
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| Article
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| n/a | n/a | >1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479269
(CHEMBL471857)Show SMILES [H][C@]1(C\C=C(/C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C31H44O10/c1-5-6-16-30(41-29(38)14-13-27(34)35)18-19-31(40-25(30)11-8-22(3)20-28(36)37)17-15-23(4)24(39-31)10-7-21(2)9-12-26(32)33/h7-9,11-12,20,23-25H,5-6,10,13-19H2,1-4H3,(H,32,33)(H,34,35)(H,36,37)/b11-8+,12-9+,21-7+,22-20+/t23-,24+,25-,30+,31-/m0/s1 | Reactome pathway
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| PC cid
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| Article
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| n/a | n/a | >1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217838
(CHEMBL115939)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](OC)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C Show InChI InChI=1S/C33H50O8/c1-7-8-18-32(29(39-6)15-11-24(3)22-31(37)38)20-21-33(41-32)19-17-26(5)28(40-33)14-10-23(2)9-13-27(34)25(4)12-16-30(35)36/h9-13,15-16,22,25-29,34H,7-8,14,17-21H2,1-6H3,(H,35,36)(H,37,38)/b13-9+,15-11+,16-12+,23-10+,24-22+/t25-,26-,27-,28+,29-,32+,33-/m0/s1 | GoogleScholar
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PC sid
UniChem
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| n/a | n/a | <1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50217847
(CHEMBL114741)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](O)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C Show InChI InChI=1S/C32H48O8/c1-6-7-17-31(28(34)14-10-23(3)21-30(37)38)19-20-32(40-31)18-16-25(5)27(39-32)13-9-22(2)8-12-26(33)24(4)11-15-29(35)36/h8-12,14-15,21,24-28,33-34H,6-7,13,16-20H2,1-5H3,(H,35,36)(H,37,38)/b12-8+,14-10+,15-11+,22-9+,23-21+/t24-,25-,26-,27+,28-,31+,32-/m0/s1 | GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (The Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity |
Bioorg Med Chem Lett 12: 3363-6 (2002)
BindingDB Entry DOI: 10.7270/Q2B56MX8 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479271
(CHEMBL515541)Show SMILES [H][C@]1(C\C=C(/C)CO)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C29H44O9/c1-5-6-14-28(38-27(35)12-11-25(31)32)16-17-29(37-24(28)10-8-20(2)18-26(33)34)15-13-22(4)23(36-29)9-7-21(3)19-30/h7-8,10,18,22-24,30H,5-6,9,11-17,19H2,1-4H3,(H,31,32)(H,33,34)/b10-8+,20-18+,21-7+/t22-,23+,24-,28+,29-/m0/s1 | Reactome pathway
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| PC cid
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| Article
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| n/a | n/a | >1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479268
(SPIROFUNGIN B)Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@H]1C)CC[C@H](C)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C29H42O7/c1-19(6-10-24(30)21(3)9-13-27(31)32)7-11-25-22(4)14-16-29(35-25)17-15-23(5)26(36-29)12-8-20(2)18-28(33)34/h6-10,12-13,18,21-26,30H,11,14-17H2,1-5H3,(H,31,32)(H,33,34)/b10-6+,12-8+,13-9+,19-7+,20-18+/t21-,22-,23-,24-,25+,26-,29+/m0/s1 | Reactome pathway
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| n/a | n/a | >1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50479278
(CHEMBL462123)Show SMILES [H][C@]1(CCO)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O |r| Show InChI InChI=1S/C26H40O9/c1-4-5-12-25(35-24(32)9-8-22(28)29)14-15-26(13-10-19(3)20(33-26)11-16-27)34-21(25)7-6-18(2)17-23(30)31/h6-7,17,19-21,27H,4-5,8-16H2,1-3H3,(H,28,29)(H,30,31)/b7-6+,18-17+/t19-,20+,21-,25+,26-/m0/s1 | Reactome pathway
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| PC cid
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| Article
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| n/a | n/a | >2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN (Institute of Physical and Chemical Research)
Curated by ChEMBL
| Assay Description
Inhibition of IleRS |
Bioorg Med Chem Lett 18: 3756-60 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL2 [121-226]
(Homo sapiens (Human)) | BDBM231647
(SSPIpYEDAA | pY421)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C41H62N9O20P/c1-5-19(2)32(49-38(62)29-7-6-14-50(29)40(64)28(18-52)48-34(58)24(42)17-51)39(63)47-26(15-22-8-10-23(11-9-22)70-71(67,68)69)37(61)45-25(12-13-30(53)54)35(59)46-27(16-31(55)56)36(60)43-20(3)33(57)44-21(4)41(65)66/h8-11,19-21,24-29,32,51-52H,5-7,12-18,42H2,1-4H3,(H,43,60)(H,44,57)(H,45,61)(H,46,59)(H,47,63)(H,48,58)(H,49,62)(H,53,54)(H,55,56)(H,65,66)(H2,67,68,69)/t19-,20-,21-,24-,25-,26-,27-,28-,29-,32-/m0/s1 | PDB
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| n/a | n/a | n/a | 260 | n/a | n/a | n/a | 7.25 | n/a |
Yale University
| Assay Description
SH2 domains were dialyzed into binding buffer (50 mM Hepes, pH 7.25, 150 mM NaCl, 0.01% Nonidet P-40, 5% glycerol) and a 30-μl volume serially d... |
J Biol Chem 289: 19704-13 (2014)
Article DOI: 10.1074/jbc.M114.556480
BindingDB Entry DOI: 10.7270/Q2KW5DXT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL2 [121-226]
(Homo sapiens (Human)) | BDBM231648
(SEPVpYETTE | pY466)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C45H68N9O23P/c1-20(2)34(51-40(67)30-6-5-17-54(30)44(71)27(12-15-32(60)61)48-37(64)25(46)19-55)41(68)50-29(18-23-7-9-24(10-8-23)77-78(74,75)76)39(66)47-26(11-14-31(58)59)38(65)52-36(22(4)57)43(70)53-35(21(3)56)42(69)49-28(45(72)73)13-16-33(62)63/h7-10,20-22,25-30,34-36,55-57H,5-6,11-19,46H2,1-4H3,(H,47,66)(H,48,64)(H,49,69)(H,50,68)(H,51,67)(H,52,65)(H,53,70)(H,58,59)(H,60,61)(H,62,63)(H,72,73)(H2,74,75,76)/t21-,22-,25+,26+,27+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 580 | n/a | n/a | n/a | 7.25 | n/a |
Yale University
| Assay Description
SH2 domains were dialyzed into binding buffer (50 mM Hepes, pH 7.25, 150 mM NaCl, 0.01% Nonidet P-40, 5% glycerol) and a 30-μl volume serially d... |
J Biol Chem 289: 19704-13 (2014)
Article DOI: 10.1074/jbc.M114.556480
BindingDB Entry DOI: 10.7270/Q2KW5DXT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL2 [121-226]
(Homo sapiens (Human)) | BDBM231649
(EDDTpYDGYE | pY482)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C46H60N9O26P/c1-20(56)38(55-44(74)31(18-37(67)68)53-43(73)30(17-36(65)66)51-39(69)25(47)10-12-33(59)60)45(75)54-28(15-22-4-8-24(9-5-22)81-82(78,79)80)42(72)52-29(16-35(63)64)40(70)48-19-32(58)49-27(14-21-2-6-23(57)7-3-21)41(71)50-26(46(76)77)11-13-34(61)62/h2-9,20,25-31,38,56-57H,10-19,47H2,1H3,(H,48,70)(H,49,58)(H,50,71)(H,51,69)(H,52,72)(H,53,73)(H,54,75)(H,55,74)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,76,77)(H2,78,79,80)/t20-,25+,26+,27+,28+,29+,30+,31+,38+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | >7.27E+3 | n/a | n/a | n/a | 7.25 | n/a |
Yale University
| Assay Description
SH2 domains were dialyzed into binding buffer (50 mM Hepes, pH 7.25, 150 mM NaCl, 0.01% Nonidet P-40, 5% glycerol) and a 30-μl volume serially d... |
J Biol Chem 289: 19704-13 (2014)
Article DOI: 10.1074/jbc.M114.556480
BindingDB Entry DOI: 10.7270/Q2KW5DXT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1 [131-238]
(Homo sapiens (Human)) | BDBM231647
(SSPIpYEDAA | pY421)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C41H62N9O20P/c1-5-19(2)32(49-38(62)29-7-6-14-50(29)40(64)28(18-52)48-34(58)24(42)17-51)39(63)47-26(15-22-8-10-23(11-9-22)70-71(67,68)69)37(61)45-25(12-13-30(53)54)35(59)46-27(16-31(55)56)36(60)43-20(3)33(57)44-21(4)41(65)66/h8-11,19-21,24-29,32,51-52H,5-7,12-18,42H2,1-4H3,(H,43,60)(H,44,57)(H,45,61)(H,46,59)(H,47,63)(H,48,58)(H,49,62)(H,53,54)(H,55,56)(H,65,66)(H2,67,68,69)/t19-,20-,21-,24-,25-,26-,27-,28-,29-,32-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.33E+3 | n/a | n/a | n/a | 7.25 | n/a |
Yale University
| Assay Description
SH2 domains were dialyzed into binding buffer (50 mM Hepes, pH 7.25, 150 mM NaCl, 0.01% Nonidet P-40, 5% glycerol) and a 30-μl volume serially d... |
J Biol Chem 289: 19704-13 (2014)
Article DOI: 10.1074/jbc.M114.556480
BindingDB Entry DOI: 10.7270/Q2KW5DXT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1 [131-238]
(Homo sapiens (Human)) | BDBM231648
(SEPVpYETTE | pY466)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C45H68N9O23P/c1-20(2)34(51-40(67)30-6-5-17-54(30)44(71)27(12-15-32(60)61)48-37(64)25(46)19-55)41(68)50-29(18-23-7-9-24(10-8-23)77-78(74,75)76)39(66)47-26(11-14-31(58)59)38(65)52-36(22(4)57)43(70)53-35(21(3)56)42(69)49-28(45(72)73)13-16-33(62)63/h7-10,20-22,25-30,34-36,55-57H,5-6,11-19,46H2,1-4H3,(H,47,66)(H,48,64)(H,49,69)(H,50,68)(H,51,67)(H,52,65)(H,53,70)(H,58,59)(H,60,61)(H,62,63)(H,72,73)(H2,74,75,76)/t21-,22-,25+,26+,27+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.27E+3 | n/a | n/a | n/a | 7.25 | n/a |
Yale University
| Assay Description
SH2 domains were dialyzed into binding buffer (50 mM Hepes, pH 7.25, 150 mM NaCl, 0.01% Nonidet P-40, 5% glycerol) and a 30-μl volume serially d... |
J Biol Chem 289: 19704-13 (2014)
Article DOI: 10.1074/jbc.M114.556480
BindingDB Entry DOI: 10.7270/Q2KW5DXT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1 [131-238]
(Homo sapiens (Human)) | BDBM231649
(EDDTpYDGYE | pY482)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C46H60N9O26P/c1-20(56)38(55-44(74)31(18-37(67)68)53-43(73)30(17-36(65)66)51-39(69)25(47)10-12-33(59)60)45(75)54-28(15-22-4-8-24(9-5-22)81-82(78,79)80)42(72)52-29(16-35(63)64)40(70)48-19-32(58)49-27(14-21-2-6-23(57)7-3-21)41(71)50-26(46(76)77)11-13-34(61)62/h2-9,20,25-31,38,56-57H,10-19,47H2,1H3,(H,48,70)(H,49,58)(H,50,71)(H,51,69)(H,52,72)(H,53,73)(H,54,75)(H,55,74)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,76,77)(H2,78,79,80)/t20-,25+,26+,27+,28+,29+,30+,31+,38+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | >6.19E+4 | n/a | n/a | n/a | 7.25 | n/a |
Yale University
| Assay Description
SH2 domains were dialyzed into binding buffer (50 mM Hepes, pH 7.25, 150 mM NaCl, 0.01% Nonidet P-40, 5% glycerol) and a 30-μl volume serially d... |
J Biol Chem 289: 19704-13 (2014)
Article DOI: 10.1074/jbc.M114.556480
BindingDB Entry DOI: 10.7270/Q2KW5DXT |
More data for this
Ligand-Target Pair | |
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