| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059541
BDB059541
|
BDBM50530417
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C(C)C
|
C15H18N6 282.351000 |
NMUDZNRXZXDYEQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50530417; PubChem:CID135335915
|
Local ready
Direct docking supported
|
|
E3L059542
BDB059542
|
BDBM50530429
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)Oc1ccccc1
|
C21H22N6O 374.448000 |
PUGXENIKUPHCAF-CYBMUJFWSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50530429; PubChem:CID135335801
|
Local ready
Direct docking supported
|
|
E3L059543
BDB059543
|
BDBM50530430
Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C1CC1
|
C15H16N6 280.335000 |
HQAFQRVIFUNAKT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50530430; PubChem:CID135335871
|
Local ready
Direct docking supported
|
|
E3L059544
BDB059544
|
Anticancer agent 127
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(OS(=O)(=O)F)cccc21)C1CCCCC1
|
C26H37FN4O6S 552.669000 |
YVERFLKIJOIKPE-HXGJMTJLSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50530582; PubChem:CID155561157
|
Local ready
Direct docking supported
|
|
E3L059545
BDB059545
|
BDBM50530583
CN[C@@H](C)C(=O)NC(Cc1cc(C)c(C(F)(F)F)cc1F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(OS(=O)(=O)F)cccc21
|
C29H33F5N4O6S 660.662000 |
PUZNQYGJYZGRFA-BYAIKGAQSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50530583
|
Local ready
Direct docking supported
|
|
E3L059546
BDB059546
|
BDBM50530637
Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)ccn1
|
C24H23FN6S 446.555000 |
ZDESNDWWUUVJLG-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50530637; PubChem:CID155568798
|
Local ready
Direct docking supported
|
|
E3L059547
BDB059547
|
Verticillin A
CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1([C@@]12c4ccccc4N[C@@H]1N1C(=O)[C@]4(C)SS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O
|
C30H28N6O6S4 696.858000 |
IMGTYEJTVRXGLW-LRESJZTJSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50530867; PubChem:CID72710747
|
Local ready
Direct docking supported
|
|
E3L059548
BDB059548
|
BDBM50531070
COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)cc(S(C)(=O)=O)c1O
|
C14H13BrClNO6S2 470.750000 |
XSNDBCXTZMGFDN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531070; PubChem:CID155547690
|
Local ready
Direct docking supported
|
|
E3L059549
BDB059549
|
BDBM50531071
O=C(O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O
|
C13H9BrClNO6S 422.640000 |
YKNSJAKLAKAVKH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531071; PubChem:CID155563120
|
Local ready
Direct docking supported
|
|
E3L059550
BDB059550
|
BDBM50531072
O=C(O)c1cc(NS(=O)(=O)c2cc(Br)ccc2O)cc(S(F)(F)(F)(F)F)c1
|
C13H9BrF5NO5S2 498.245000 |
AAJCYJCNQUYQTH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531072; PubChem:CID155536666
|
Local ready
Direct docking supported
|
|
E3L059551
BDB059551
|
BDBM50531073
CNC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O
|
C14H12BrClN2O5S 435.683000 |
WREJJQUEKVRFCU-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531073; PubChem:CID155555585
|
Local ready
Direct docking supported
|
|
E3L059552
BDB059552
|
BDBM50531074
CNC(=O)c1cc(C2(C#N)CCC2)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O
|
C19H17BrClN3O5S 514.785000 |
COYGYHFILXAMSQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531074; PubChem:CID145704698
|
Local ready
Direct docking supported
|
|
E3L059553
BDB059553
|
BDBM50531075
CS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Br)ccc2O)cc(S(F)(F)(F)(F)F)c1
|
C13H11BrF5NO5S3 532.328000 |
GXKWWSXTDOWSFB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531075; PubChem:CID145704697
|
Local ready
Direct docking supported
|
|
E3L059554
BDB059554
|
BDBM50531076
COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(C)(C)C)ccc1O
|
C17H20BrNO4S 414.321000 |
NUCBFUKPFYXFNL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531076; PubChem:CID155539506
|
Local ready
Direct docking supported
|
|
E3L059555
BDB059555
|
BDBM50531077
O=C(O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1
|
C13H9BrClNO5S 406.641000 |
BAFBQLQHLMLBCL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531077; PubChem:CID155546315
|
Local ready
Direct docking supported
|
|
E3L059556
BDB059556
|
BDBM50531078
O=C(O)c1cc(OC(F)(F)F)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O
|
C14H9BrF3NO7S 472.191000 |
HJSHYSJMDZOUAB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531078; PubChem:CID155561018
|
Local ready
Direct docking supported
|
|
E3L059557
BDB059557
|
BDBM50531079
N#CC1(c2cc(NS(=O)(=O)c3cc(Br)ccc3O)c(O)c(C(=O)O)c2)CCCCC1
|
C20H19BrN2O6S 495.351000 |
LHQJNKXEQDMDIL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531079; PubChem:CID155534803
|
Local ready
Direct docking supported
|
|
E3L059558
BDB059558
|
BDBM50531080
CCOc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1F
|
C15H14FNO5S 339.344000 |
DMIRFYYZRJSZPF-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531080; PubChem:CID15943973
|
Local ready
Direct docking supported
|
|
E3L059559
BDB059559
|
BDBM50531081
CNC(=O)c1cc(NS(=O)(=O)c2cc(Br)ccc2O)cc(C2(C#N)CCC2)c1
|
C19H18BrN3O4S 464.341000 |
HTDHGPQJWJSDGO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531081; PubChem:CID155569685
|
Local ready
Direct docking supported
|
|
E3L059560
BDB059560
|
BDBM50531082
CS(=O)(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O
|
C13H10BrCl2NO6S2 491.168000 |
DMNYWAGZZMQKRG-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50531082; PubChem:CID155524950
|
Local ready
Direct docking supported
|