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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'hirano' and Initial = 'a'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614182
PNG
(CHEMBL5291403)
Show SMILES Nc1ncnc2n(cc(-c3cnc4ccccc4c3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161389
PNG
(US10124003, Ref. Ex. Compound 3 | US10835536, Ex. ...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614181
PNG
(CHEMBL5265881)
Show SMILES Nc1ncnc2n(cc(-c3cnc4ccccc4c3)c12)C1CCN(C1)C(=O)C=C
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n/an/a 1.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161396
PNG
(US10124003, Ex. Compound 9 | US10835536, Ex. Comp ...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CN(C2)C(=O)C=C)c2ncnc(N)c12
Show InChI InChI=1S/C21H20N6O3/c1-4-18(28)26-10-14(11-26)27-21-19(20(22)23-12-24-21)17(25-27)6-5-13-7-15(29-2)9-16(8-13)30-3/h4,7-9,12,14H,1,10-11H2,2-3H3,(H2,22,23,24)
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n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM161389
PNG
(US10124003, Ref. Ex. Compound 3 | US10835536, Ex. ...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM161389
PNG
(US10124003, Ref. Ex. Compound 3 | US10835536, Ex. ...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161389
PNG
(US10124003, Ref. Ex. Compound 3 | US10835536, Ex. ...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50370219
PNG
(CHEMBL610868)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)OC6[C@H](O)[C@@H](COP(O)(O)=O)OC6n6c(N=[N+]=[N-])nc7c(N)ncnc67)OC5n5c(N=[N+]=[N-])nc6c(N)ncnc56)OC4n4c(N=[N+]=[N-])nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r|
Show InChI InChI=1S/C40H46N32O25P4/c41-25-13-29(53-5-49-25)69(37(57-13)61-65-45)33-21(77)17(73)9(91-33)2-88-99(81,82)96-23-19(75)11(93-35(23)71-31-15(27(43)51-7-55-31)59-39(71)63-67-47)4-90-101(85,86)97-24-20(76)12(94-36(24)72-32-16(28(44)52-8-56-32)60-40(72)64-68-48)3-89-100(83,84)95-22-18(74)10(1-87-98(78,79)80)92-34(22)70-30-14(26(42)50-6-54-30)58-38(70)62-66-46/h5-12,17-24,33-36,73-77H,1-4H2,(H,81,82)(H,83,84)(H,85,86)(H2,41,49,53)(H2,42,50,54)(H2,43,51,55)(H2,44,52,56)(H2,78,79,80)/t9-,10-,11-,12-,17-,18-,19-,20-,21-,22?,23-,24-,33?,34?,35?,36?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50370220
PNG
(CHEMBL1163094)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)OC4C(O)C(COP(O)(=O)OC5C(O)C(COP(O)(O)=O)OC5n5c(N=[N+]=[N-])nc6c(N)ncnc56)OC4n4c(N=[N+]=[N-])nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r|
Show InChI InChI=1S/C30H35N24O19P3/c31-19-10-22(40-4-37-19)52(28(43-10)46-49-34)25-16(58)13(55)7(69-25)2-67-75(62,63)73-18-15(57)9(71-27(18)54-24-12(21(33)39-6-42-24)45-30(54)48-51-36)3-68-76(64,65)72-17-14(56)8(1-66-74(59,60)61)70-26(17)53-23-11(20(32)38-5-41-23)44-29(53)47-50-35/h4-9,13-18,25-27,55-58H,1-3H2,(H,62,63)(H,64,65)(H2,31,37,40)(H2,32,38,41)(H2,33,39,42)(H2,59,60,61)/t7-,8?,9?,13-,14?,15?,16-,17?,18?,25?,26?,27?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50373177
PNG
(CHEMBL404038)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |w:25.27,15.17,35.37,39.41|
Show InChI InChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161399
PNG
(US10124003, Ex. Compound 12 | US10835536, Ex. Comp...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CN(C2)C(=O)\C=C\CN(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N7O3/c1-29(2)9-5-6-21(32)30-13-17(14-30)31-24-22(23(25)26-15-27-24)20(28-31)8-7-16-10-18(33-3)12-19(11-16)34-4/h5-6,10-12,15,17H,9,13-14H2,1-4H3,(H2,25,26,27)/b6-5+
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n/an/a 3.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM161389
PNG
(US10124003, Ref. Ex. Compound 3 | US10835536, Ex. ...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50421415
PNG
(CHEMBL414948)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[C@@H]2[C@H](O)[C@@H](CO[P@](O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614184
PNG
(CHEMBL5291034)
Show SMILES Nc1ncnc2n(nc(-c3cnc4ccccc4c3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
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n/an/a 5.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161416
PNG
(US10124003, Ex. Compound 29 | US10835536, Ex. Comp...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(CC2CN(C2)C(=O)C=C)c2ncnc(N)c12
Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-10-15(11-27)12-28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-7-16(30-2)9-17(8-14)31-3/h4,7-9,13,15H,1,10-12H2,2-3H3,(H2,23,24,25)
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614183
PNG
(CHEMBL5289003)
Show SMILES Nc1ncnc2n(cc(-c3cnc4ccccc4c3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
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n/an/a 17n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614180
PNG
(CHEMBL5278505)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)\C=C\CN(C)C)c2ncnc(N)c12 |r|
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n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614177
PNG
(CHEMBL5287545)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
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n/an/a 29n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614179
PNG
(CHEMBL5269016)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CCN(CC2)C(=O)C=C)c2ncnc(N)c12
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n/an/a 34n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50370222
PNG
(CHEMBL610866)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)OC4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@@H]6[C@H](O)[C@@H](CO)OC6n6c(N=[N+]=[N-])nc7c(N)ncnc67)OC5n5c(N=[N+]=[N-])nc6c(N)ncnc56)OC4n4c(N=[N+]=[N-])nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r|
Show InChI InChI=1S/C40H45N32O22P3/c41-25-13-29(53-5-49-25)69(37(57-13)61-65-45)33-21(78)17(74)10(89-33)2-85-95(79,80)93-23-19(76)12(91-35(23)71-31-15(27(43)51-7-55-31)59-39(71)63-67-47)4-87-97(83,84)94-24-20(77)11(90-36(24)72-32-16(28(44)52-8-56-32)60-40(72)64-68-48)3-86-96(81,82)92-22-18(75)9(1-73)88-34(22)70-30-14(26(42)50-6-54-30)58-38(70)62-66-46/h5-12,17-24,33-36,73-78H,1-4H2,(H,79,80)(H,81,82)(H,83,84)(H2,41,49,53)(H2,42,50,54)(H2,43,51,55)(H2,44,52,56)/t9-,10-,11-,12-,17-,18-,19-,20-,21-,22-,23?,24-,33?,34?,35?,36?/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614181
PNG
(CHEMBL5265881)
Show SMILES Nc1ncnc2n(cc(-c3cnc4ccccc4c3)c12)C1CCN(C1)C(=O)C=C
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n/an/a 57n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50370227
PNG
(CHEMBL610609)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)C(COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](CO)OC5n5c(N=[N+]=[N-])nc6c(N)ncnc56)OC4n4c(N=[N+]=[N-])nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r|
Show InChI InChI=1S/C30H34N24O16P2/c31-19-10-22(40-4-37-19)52(28(43-10)46-49-34)25-16(59)13(56)8(67-25)2-64-71(60,61)70-18-15(58)9(68-27(18)54-24-12(21(33)39-6-42-24)45-30(54)48-51-36)3-65-72(62,63)69-17-14(57)7(1-55)66-26(17)53-23-11(20(32)38-5-41-23)44-29(53)47-50-35/h4-9,13-18,25-27,55-59H,1-3H2,(H,60,61)(H,62,63)(H2,31,37,40)(H2,32,38,41)(H2,33,39,42)/t7-,8-,9?,13-,14-,15-,16-,17-,18-,25?,26?,27?/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614183
PNG
(CHEMBL5289003)
Show SMILES Nc1ncnc2n(cc(-c3cnc4ccccc4c3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
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n/an/a 111n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614186
PNG
(CHEMBL5284165)
Show SMILES COc1cc(OC)cc(c1)-c1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
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n/an/a 207n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614178
PNG
(CHEMBL5268467)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(CCNC(=O)C=C)c2ncnc(N)c12
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n/an/a 207n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614187
PNG
(CHEMBL5273555)
Show SMILES COc1cc(CCc2nn([C@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)cc(OC)c1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161462
PNG
(US10835536, Ref. Ex. Comp 3 | US10894048, Ref. Ex ...)
Show SMILES CCC(=O)N1CC[C@@H](C1)n1nc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H24N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h9-11,13,15H,4,7-8,12H2,1-3H3,(H2,23,24,25)/t15-/m0/s1
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n/an/a 244n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614185
PNG
(CHEMBL5272088)
Show SMILES Nc1ncnc2n(nc(-c3cnc4ccccc4c3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
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Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614182
PNG
(CHEMBL5291403)
Show SMILES Nc1ncnc2n(cc(-c3cnc4ccccc4c3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
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Citation and Details
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50370221
PNG
(CHEMBL610855)
Show SMILES Nc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(O)=O)OC4n4c(N)nc5c(N)ncnc45)OC3n3c(N)nc4c(N)ncnc34)OC2n2c(N)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C40H54N24O25P4/c41-25-13-29(53-5-49-25)61(37(45)57-13)33-21(69)17(65)9(83-33)2-80-91(73,74)88-23-19(67)11(85-35(23)63-31-15(59-39(63)47)27(43)51-7-55-31)4-82-93(77,78)89-24-20(68)12(86-36(24)64-32-16(60-40(64)48)28(44)52-8-56-32)3-81-92(75,76)87-22-18(66)10(1-79-90(70,71)72)84-34(22)62-30-14(58-38(62)46)26(42)50-6-54-30/h5-12,17-24,33-36,65-69H,1-4H2,(H2,45,57)(H2,46,58)(H2,47,59)(H2,48,60)(H,73,74)(H,75,76)(H,77,78)(H2,41,49,53)(H2,42,50,54)(H2,43,51,55)(H2,44,52,56)(H2,70,71,72)/t9-,10-,11-,12-,17-,18-,19-,20-,21-,22-,23-,24-,33?,34?,35?,36?/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614176
PNG
(CHEMBL5275918)
Show SMILES COc1cc(NC(=O)c2nn([C@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)cc(OC)c1 |r|
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n/an/a 670n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614185
PNG
(CHEMBL5272088)
Show SMILES Nc1ncnc2n(nc(-c3cnc4ccccc4c3)c12)[C@H]1CCN(C1)C(=O)C=C |r|
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n/an/a 741n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50370224
PNG
(CHEMBL610867)
Show SMILES Nc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OC2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](CO)OC4n4c(N)nc5c(N)ncnc45)OC3n3c(N)nc4c(N)ncnc34)OC2n2c(N)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C40H53N24O22P3/c41-25-13-29(53-5-49-25)61(37(45)57-13)33-21(70)17(66)10(81-33)2-77-87(71,72)85-23-19(68)12(83-35(23)63-31-15(59-39(63)47)27(43)51-7-55-31)4-79-89(75,76)86-24-20(69)11(82-36(24)64-32-16(60-40(64)48)28(44)52-8-56-32)3-78-88(73,74)84-22-18(67)9(1-65)80-34(22)62-30-14(58-38(62)46)26(42)50-6-54-30/h5-12,17-24,33-36,65-70H,1-4H2,(H2,45,57)(H2,46,58)(H2,47,59)(H2,48,60)(H,71,72)(H,73,74)(H,75,76)(H2,41,49,53)(H2,42,50,54)(H2,43,51,55)(H2,44,52,56)/t9-,10-,11-,12-,17-,18-,19-,20-,21-,22-,23?,24-,33?,34?,35?,36?/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50614180
PNG
(CHEMBL5278505)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)\C=C\CN(C)C)c2ncnc(N)c12 |r|
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n/an/a 1.21E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50614177
PNG
(CHEMBL5287545)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
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n/an/a 1.49E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM161416
PNG
(US10124003, Ex. Compound 29 | US10835536, Ex. Comp...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(CC2CN(C2)C(=O)C=C)c2ncnc(N)c12
Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-10-15(11-27)12-28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-7-16(30-2)9-17(8-14)31-3/h4,7-9,13,15H,1,10-12H2,2-3H3,(H2,23,24,25)
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n/an/a 1.77E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50614184
PNG
(CHEMBL5291034)
Show SMILES Nc1ncnc2n(nc(-c3cnc4ccccc4c3)c12)[C@@H]1CCN(C1)C(=O)C=C |r|
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n/an/a 2.26E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM161389
PNG
(US10124003, Ref. Ex. Compound 3 | US10835536, Ex. ...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
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n/an/a 2.36E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM161396
PNG
(US10124003, Ex. Compound 9 | US10835536, Ex. Comp ...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CN(C2)C(=O)C=C)c2ncnc(N)c12
Show InChI InChI=1S/C21H20N6O3/c1-4-18(28)26-10-14(11-26)27-21-19(20(22)23-12-24-21)17(25-27)6-5-13-7-15(29-2)9-16(8-13)30-3/h4,7-9,12,14H,1,10-11H2,2-3H3,(H2,22,23,24)
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n/an/a 3.03E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50614179
PNG
(CHEMBL5269016)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CCN(CC2)C(=O)C=C)c2ncnc(N)c12
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n/an/a 3.38E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM161399
PNG
(US10124003, Ex. Compound 12 | US10835536, Ex. Comp...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(C2CN(C2)C(=O)\C=C\CN(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N7O3/c1-29(2)9-5-6-21(32)30-13-17(14-30)31-24-22(23(25)26-15-27-24)20(28-31)8-7-16-10-18(33-3)12-19(11-16)34-4/h5-6,10-12,15,17H,9,13-14H2,1-4H3,(H2,25,26,27)/b6-5+
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n/an/a 3.69E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614187
PNG
(CHEMBL5273555)
Show SMILES COc1cc(CCc2nn([C@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)cc(OC)c1 |r|
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n/an/a>5.00E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM161389
PNG
(US10124003, Ref. Ex. Compound 3 | US10835536, Ex. ...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
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Citation and Details
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50370229
PNG
(CHEMBL607600)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(O)=O)OC4n4c(N=[N+]=[N-])nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r|
Show InChI InChI=1S/C20H24N16O13P2/c21-13-7-15(27-3-25-13)35(19(29-7)31-33-23)17-11(39)9(37)5(47-17)2-46-51(43,44)49-12-10(38)6(1-45-50(40,41)42)48-18(12)36-16-8(14(22)26-4-28-16)30-20(36)32-34-24/h3-6,9-12,17-18,37-39H,1-2H2,(H,43,44)(H2,21,25,27)(H2,22,26,28)(H2,40,41,42)/t5-,6-,9-,10-,11-,12-,17?,18?/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM161462
PNG
(US10835536, Ref. Ex. Comp 3 | US10894048, Ref. Ex ...)
Show SMILES CCC(=O)N1CC[C@@H](C1)n1nc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H24N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h9-11,13,15H,4,7-8,12H2,1-3H3,(H2,23,24,25)/t15-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614176
PNG
(CHEMBL5275918)
Show SMILES COc1cc(NC(=O)c2nn([C@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)cc(OC)c1 |r|
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n/an/a>5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614186
PNG
(CHEMBL5284165)
Show SMILES COc1cc(OC)cc(c1)-c1nn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
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n/an/a>5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50614178
PNG
(CHEMBL5268467)
Show SMILES COc1cc(OC)cc(c1)C#Cc1nn(CCNC(=O)C=C)c2ncnc(N)c12
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n/an/a 7.01E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50370230
PNG
(CHEMBL610610)
Show SMILES Nc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OC2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(O)=O)OC3n3c(N)nc4c(N)ncnc34)OC2n2c(N)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C30H41N18O19P3/c31-19-10-22(40-4-37-19)46(28(34)43-10)25-16(52)13(49)7(63-25)2-61-69(56,57)67-18-15(51)9(65-27(18)48-24-12(45-30(48)36)21(33)39-6-42-24)3-62-70(58,59)66-17-14(50)8(1-60-68(53,54)55)64-26(17)47-23-11(44-29(47)35)20(32)38-5-41-23/h4-9,13-18,25-27,49-52H,1-3H2,(H2,34,43)(H2,35,44)(H2,36,45)(H,56,57)(H,58,59)(H2,31,37,40)(H2,32,38,41)(H2,33,39,42)(H2,53,54,55)/t7-,8-,9-,13-,14-,15-,16-,17-,18?,25?,26?,27?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50370223
PNG
(CHEMBL607888)
Show SMILES Nc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)OC2n2c(N)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H27N12O10P/c21-13-7-15(27-3-25-13)31(19(23)29-7)17-11(36)9(34)6(41-17)2-39-43(37,38)42-12-10(35)5(1-33)40-18(12)32-16-8(30-20(32)24)14(22)26-4-28-16/h3-6,9-12,17-18,33-36H,1-2H2,(H2,23,29)(H2,24,30)(H,37,38)(H2,21,25,27)(H2,22,26,28)/t5-,6-,9-,10-,11-,12-,17?,18?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Gunma University

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver


J Med Chem 46: 4926-32 (2003)


Article DOI: 10.1021/jm030035k
BindingDB Entry DOI: 10.7270/Q2QR4XVM
More data for this
Ligand-Target Pair
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