| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049941
BDB049941
|
Fetav
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)O)C(=O)O
|
C26H39N5O9 565.624000 |
ILLATSRMKXLBOS-HWJJFRRQSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252713; PubChem:CID44568793
|
Local ready
Direct docking supported
|
|
E3L049942
BDB049942
|
N-Benzyl-ETAV
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCc1ccccc1)C(C)O)C(=O)O
|
C24H36N4O8 508.572000 |
DETDSGXQMKQDNJ-VFWSWVEUSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252714; PubChem:CID44568794
|
Local ready
Direct docking supported
|
|
E3L049943
BDB049943
|
N-Phenylethyl-ETAV
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccccc1)C(C)O)C(=O)O
|
C25H38N4O8 522.599000 |
DJKUAJMLBSOLFF-GDEPEFMTSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252715; PubChem:CID44568795
|
Local ready
Direct docking supported
|
|
E3L049944
BDB049944
|
BDBM50252727
CN(CCO/N=C1/C(=C2/C(=O)Nc3cc(Br)ccc32)Nc2ccccc21)CC(O)CO
|
C22H23BrN4O4 487.354000 |
RWKFWKPIQLFUQP-OQBIKMBDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50252727
|
Local ready
Direct docking supported
|
|
E3L049945
BDB049945
|
BDBM50252729
O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCNCC1
|
C22H22BrN5O2 468.355000 |
HJVDQPRJANOXIX-IVGNLCKYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50252729
|
Local ready
Direct docking supported
|
|
E3L049946
BDB049946
|
BDBM50252730
COCCN1CCN(CCO/N=C2/C(=C3/C(=O)Nc4cc(Br)ccc43)Nc3ccccc32)CC1
|
C25H28BrN5O3 526.435000 |
HUDVRTTVWXVPMO-HLDOLBPXSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50252730
|
Local ready
Direct docking supported
|
|
E3L049947
BDB049947
|
N-Ethyl-ETAV
CCN[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)C(C)O
|
C19H34N4O8 446.501000 |
MEXXBWHVPQDHNP-FYOXFVTASA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252746; PubChem:CID44568808
|
Local ready
Direct docking supported
|
|
E3L049948
BDB049948
|
N-Phenylpropyl-ETAV
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCCc1ccccc1)C(C)O)C(=O)O
|
C26H40N4O8 536.626000 |
UKIJAHRPMGIIOF-DYKQHQKNSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252752; PubChem:CID44568810
|
Local ready
Direct docking supported
|
|
E3L049949
BDB049949
|
N-(3,4-Dichlorophenyl)propyl-ETAV
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccc(Cl)c(Cl)c1)C(C)O)C(=O)O
|
C25H36Cl2N4O8 591.489000 |
QVZKLLUMEYWUMT-WHJBMRRRSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252753; PubChem:CID44568811
|
Local ready
Direct docking supported
|
|
E3L049950
BDB049950
|
N-(3,4-Difluorophenyl)propyl-ETAV
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccc(F)c(F)c1)C(C)O)C(=O)O
|
C25H36F2N4O8 558.579000 |
VPSVLXPCERTAAH-WHJBMRRRSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252754; PubChem:CID44568812
|
Local ready
Direct docking supported
|
|
E3L049951
BDB049951
|
BDBM50252767
O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCN(CCOCCO)CC1
|
C26H30BrN5O4 556.461000 |
WFQCEVIDLOLEDG-UOLJZGQOSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50252767
|
Local ready
Direct docking supported
|
|
E3L049952
BDB049952
|
N-Propyl-ETAV
CCCN[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)C(C)O
|
C20H36N4O8 460.528000 |
NHQFROHPNIZUKF-VSZKUSEYSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252824; PubChem:CID44568833
|
Local ready
Direct docking supported
|
|
E3L049953
BDB049953
|
N-Butyl-ETAV
CCCCN[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)C(C)O
|
C21H38N4O8 474.555000 |
DGLIBFYKWHJASP-UPKCPHKASA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252825; PubChem:CID44568834
|
Local ready
Direct docking supported
|
|
E3L049954
BDB049954
|
N-Cyclohexylmethyl-ETAV
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCC1CCCCC1)C(C)O)C(=O)O
|
C24H42N4O8 514.620000 |
NRBYXUOJAWZKTA-VFWSWVEUSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252826; PubChem:CID44568835
|
Local ready
Direct docking supported
|
|
E3L049955
BDB049955
|
N-Cyclohexylethyl-ETAV
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCC1CCCCC1)C(C)O)C(=O)O
|
C25H44N4O8 528.647000 |
APPLGLBBZPGQBX-GDEPEFMTSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252827; PubChem:CID44568836
|
Local ready
Direct docking supported
|
|
E3L049956
BDB049956
|
N-(Naphthalene-2-yl)ethyl-ETAV
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NCCc1ccc2ccccc2c1)C(C)O)C(=O)O
|
C29H40N4O8 572.659000 |
BVNXVJDQOOZPCM-FZDDQCGTSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50252828; PubChem:CID44568837
|
Local ready
Direct docking supported
|
|
E3L049957
BDB049957
|
BDBM50252978
O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCCC1
|
C22H21BrN4O2 453.340000 |
KNGAOBKKLCKYNZ-OQBIKMBDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50252978
|
Local ready
Direct docking supported
|
|
E3L049958
BDB049958
|
US10022354, Example 27
CC(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
|
C13H20N4O2 264.329000 |
VJWRGFIQVSUBPB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50253035; PubChem:CID121279544
|
Local ready
Direct docking supported
|
|
E3L049959
BDB049959
|
US10022354, Example 123
CCC(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
|
C14H22N4O2 278.356000 |
MGXMSHAYYGXJLQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50253036; PubChem:CID121279532
|
Local ready
Direct docking supported
|
|
E3L049960
BDB049960
|
BDBM50253037
CC(C)C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
|
C15H24N4O2 292.383000 |
XUOCHQJRNWAHTC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50253037; PubChem:CID137634783
|
Local ready
Direct docking supported
|