| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060441
BDB060441
|
BDBM50553572
CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cn[nH]c4)cc3)cc21
|
C21H21N5O2 375.432000 |
KFLGFIKSYZCSFN-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50553572; PubChem:CID162671076
|
Local ready
Direct docking supported
|
|
E3L060442
BDB060442
|
BDBM50553573
CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cnn(C)c4)cc3)cc21
|
C22H23N5O2 389.459000 |
STCZNMHATQRJGS-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50553573; PubChem:CID162671507
|
Local ready
Direct docking supported
|
|
E3L060443
BDB060443
|
BDBM50553574
CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C)n4)cc3)cc21
|
C22H23N5O2 389.459000 |
PSNUIKMCODLIKE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50553574; PubChem:CID162646040
|
Local ready
Direct docking supported
|
|
E3L060444
BDB060444
|
BDBM50553575
CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cnn(C(C)=O)c4)cc3)cc21
|
C23H23N5O3 417.469000 |
KFRHEXGLPHPHCQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50553575; PubChem:CID162644380
|
Local ready
Direct docking supported
|
|
E3L060445
BDB060445
|
BDBM50553576
CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C(C)=O)n4)cc3)cc21
|
C23H23N5O3 417.469000 |
MPQLBQVQHVUFGJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50553576; PubChem:CID162643668
|
Local ready
Direct docking supported
|
|
E3L060446
BDB060446
|
BDBM50553577
CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)cc21
|
C22H23N5O4S 453.524000 |
HWXIJBVITCOCSF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50553577; PubChem:CID162671790
|
Local ready
Direct docking supported
|
|
E3L060447
BDB060447
|
BDBM50553578
CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(S(C)(=O)=O)n4)cc3)cc21
|
C22H23N5O4S 453.524000 |
UGIYYUHSTOIBMI-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50553578; PubChem:CID162666372
|
Local ready
Direct docking supported
|
|
E3L060448
BDB060448
|
BDBM50553813
O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C47H53FN8O8 876.987000 |
HPBWDZVXFSTVMR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50553813
|
Local ready
Direct docking supported
|
|
E3L060449
BDB060449
|
SK-575-Neg
CN1C(=O)CCC(N2C(=O)c3cccc(NCCNC(=O)CCCCCCCCCCC(=O)N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)c3C2=O)C1=O
|
C48H55FN8O8 891.014000 |
BFHBWQUTCXAXMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50553814; PubChem:CID162672785
|
Local ready
Direct docking supported
|
|
E3L060450
BDB060450
|
BDBM50554117
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
|
C25H37N7O10 595.610000 |
MQJQITXYXNAMRC-MTKRSLOGSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50554117
|
Local ready
Direct docking supported
|
|
E3L060451
BDB060451
|
BDBM50554118
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COC(=O)CC(=O)O)[C@H](O)[C@@H]1O
|
C13H15N5O7 353.291000 |
MWPRFUJBWNGVDR-NLWGHHDMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50554118; PubChem:CID162674170
|
Local ready
Direct docking supported
|
|
E3L060452
BDB060452
|
BDBM50554119
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
|
C25H38N8O9 594.626000 |
FYFFCAMRWYGBIT-MTKRSLOGSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50554119
|
Local ready
Direct docking supported
|
|
E3L060453
BDB060453
|
BDBM50554120
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CNC(=O)CC(=O)O)[C@H](O)[C@@H]1O
|
C13H16N6O6 352.307000 |
TVIYAUPMLIYLDT-NLWGHHDMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50554120; PubChem:CID162654862
|
Local ready
Direct docking supported
|
|
E3L060454
BDB060454
|
BDBM50554121
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
|
C26H39N7O10 609.637000 |
UNCWBZKDYQYDFK-FYEULFKYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50554121
|
Local ready
Direct docking supported
|
|
E3L060455
BDB060455
|
BDBM50554122
CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
|
C27H41N7O10 623.664000 |
XAICVKDJPIUPOP-UUPPINRVSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50554122
|
Local ready
Direct docking supported
|
|
E3L060456
BDB060456
|
BDBM50554123
CC(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
|
C19H27N5O7 437.453000 |
PMOPLKNVJFPAPB-KYWZPLQMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50554123; PubChem:CID162664722
|
Local ready
Direct docking supported
|
|
E3L060457
BDB060457
|
BDBM50554124
CNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
|
C21H30N6O9 510.504000 |
CRRQEYMOTNZNCS-JJNNYRRPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50554124; PubChem:CID162650165
|
Local ready
Direct docking supported
|
|
E3L060458
BDB060458
|
BDBM50554125
CNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
|
C24H35N7O10 581.583000 |
ZNBQCQZEPQMFCL-YLSATLEASA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50554125
|
Local ready
Direct docking supported
|
|
E3L060459
BDB060459
|
BDBM50554126
CC(C)(COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCS
|
C25H37N7O10S 627.677000 |
DFNKSCRPOZETMX-MTKRSLOGSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50554126
|
Local ready
Direct docking supported
|
|
E3L060460
BDB060460
|
BDBM50554127
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O)[C@H](O)C(=O)NCCC(=O)NCCS
|
C21H36N7O16P3S 767.541000 |
RGJOEKWQDUBAIZ-FRSQKNERSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50554127
|
Local ready
Direct docking supported
|