| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062401
BDB062401
|
BDBM50601522
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1
|
C53H62F3N9O7S 1026.196000 |
UPLJFUHLGRAYID-MXPJCAPISA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601522
|
Local ready
Direct docking supported
|
|
E3L062402
BDB062402
|
BDBM50601523
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1
|
C54H64F3N9O7S 1040.223000 |
BXKFHYMDHAHJSX-UOHLUGTHSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601523
|
Local ready
Direct docking supported
|
|
E3L062403
BDB062403
|
BDBM50601524
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)Cc2ccc(CNC(=O)c3ccc(-c4ccc(N5CCN(C)CC5)c(NC(=O)c5c[nH]c(=O)cc5C(F)(F)F)c4)cc3)cc2)C(C)(C)C)cc1
|
C56H60F3N9O7S 1060.213000 |
PJYZWCPLYVFKHH-PNWJTEEHSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601524
|
Local ready
Direct docking supported
|
|
E3L062404
BDB062404
|
BDBM50601525
COc1ccc(-c2cn3c(n2)CCC3)cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1
|
C22H21Cl2N3O2 430.335000 |
VZEIIDRXHZLNCH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50601525; PubChem:CID168278610
|
Local ready
Direct docking supported
|
|
E3L062405
BDB062405
|
BDBM50601526
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOc2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)C(C)(C)C)cc1
|
C50H59Cl2N7O8S 989.036000 |
KUOHKJIOVPXKOP-AWWHSMTCSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601526
|
Local ready
Direct docking supported
|
|
E3L062406
BDB062406
|
BDBM50601527
CN1CCN(c2ccc(-c3ccc(C(=O)NCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C46H49F3N8O10 930.938000 |
MPVUSWCQRFACNA-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601527
|
Local ready
Direct docking supported
|
|
E3L062407
BDB062407
|
BDBM50601528
CN1CCN(c2ccc(-c3ccc(C(=O)NCCOCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C50H57F3N8O12 1019.044000 |
DHDXVQJEEHRETI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601528
|
Local ready
Direct docking supported
|
|
E3L062408
BDB062408
|
BDBM50601529
CN1CCN(c2ccc(-c3ccc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C54H65F3N8O14 1107.150000 |
OPZUCPBYLOKUIE-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601529
|
Local ready
Direct docking supported
|
|
E3L062409
BDB062409
|
BDBM50601530
CN1CCN(c2ccc(-c3ccc(C(=O)NCc4ccc(CNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C46H41F3N8O7 874.877000 |
PXGLQUOVJRNPQL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601530
|
Local ready
Direct docking supported
|
|
E3L062410
BDB062410
|
BDBM50601531
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)c2ccc(-c3ccc(N4CCN(C)C(NC(=O)c5c[nH]c(=O)cc5C(F)(F)F)C4)cc3)cc2)C(C)(C)C)cc1
|
C58H72F3N9O11S 1160.327000 |
ACMVOJXLOLDHDX-XTVHMVLRSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601531
|
Local ready
Direct docking supported
|
|
E3L062411
BDB062411
|
BDBM50601532
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1
|
C47H51F3N8O6S 913.036000 |
QAANVDJLUGLPQA-OEFLFKSQSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601532
|
Local ready
Direct docking supported
|
|
E3L062412
BDB062412
|
BDBM50601533
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1
|
C54H64F3N9O9S 1072.221000 |
CTQDFWAQIJZIMB-UOHLUGTHSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601533
|
Local ready
Direct docking supported
|
|
E3L062413
BDB062413
|
BDBM50601613
O=C1Nc2ccc(C(=O)N3CCCCC3)cc2/C1=C1/Nc2ccccc2/C1=N\O
|
C22H20N4O3 388.427000 |
VLFXWVIYYVBKIA-CULIEIDSSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50601613
|
Local ready
Direct docking supported
|
|
E3L062414
BDB062414
|
BDBM50601615
CC(=O)O/N=C1/C(=C2/C(=O)Nc3c(Br)cccc32)Nc2ccccc21
|
C18H12BrN3O3 398.216000 |
GSXNABRCKCRBSO-YCCAXDBOSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50601615
|
Local ready
Direct docking supported
|
|
E3L062415
BDB062415
|
isobutyryl-D-Lys(1)-Arg-Abu-D-Phg-(1)
CC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)C(C)C)CCCCNC(=O)[C@@H](c2ccccc2)NC1=O
|
C28H44N8O5 572.711000 |
PYARBFPEJRKODC-LNRXMEIDSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50601691; PubChem:CID137630583
|
Local ready
Direct docking supported
|
|
E3L062416
BDB062416
|
BDBM50601692
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)NCCCN)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C29H34ClFN6O2 553.082000 |
OGLREAITVXTJOM-UHFFFAOYSA-N | P61964, Q03164 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50601692; PubChem:CID168269940
|
Local ready
Direct docking supported
|
|
E3L062417
BDB062417
|
BDBM50601693
Cc1c(F)c(N)cc(C(=O)N(C)c2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl
|
C27H28ClFN4O3 510.997000 |
YVIIFQWVNDENNM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50601693; PubChem:CID168289079
|
Local ready
Direct docking supported
|
|
E3L062418
BDB062418
|
BDBM50601694
Cc1ncccc1-c1cc(Cn2ccn(C)c2=O)cc(C(=O)NCc2cc(Cl)cc(Cl)c2)c1
|
C25H22Cl2N4O2 481.383000 |
UAGMSQLTELEUSP-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50601694; PubChem:CID168283338
|
Local ready
Direct docking supported
|
|
E3L062419
BDB062419
|
BDBM50601695
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C41H52ClFN8O4S 807.437000 |
VPTAKNRDGAVVAF-WQLQHLIKSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601695
|
Local ready
Direct docking supported
|
|
E3L062420
BDB062420
|
BDBM50601767
O=c1[nH]c(CCCN2CCN(c3ccc(F)cc3F)CC2)nc2c(Cl)cccc12
|
C21H21ClF2N4O 418.875000 |
KYNSBOKWWDZNCG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50601767; PubChem:CID168281542
|
Local ready
Direct docking supported
|