| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058061
BDB058061
|
BDBM50501881
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCN(c4ncccc4C(F)(F)F)CC3)cc1)C2=O
|
C27H21F3N4O4 522.483000 |
NFOOYMZGCQQJRU-QNGOZBTKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501881; PubChem:CID155543913
|
Local ready
Direct docking supported
|
|
E3L058062
BDB058062
|
BDBM50501938
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
C22H32N4O5 432.521000 |
XUBVKHIPJRETSS-DKIMLUQUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50501938; PubChem:CID10181236
|
Local ready
Direct docking supported
|
|
E3L058063
BDB058063
|
BDBM50501939
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C27H34FN5O7S 591.662000 |
VBTADKPQDAPMTO-ZMVGRULKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50501939; PubChem:CID155553655
|
Local ready
Direct docking supported
|
|
E3L058064
BDB058064
|
BDBM50501940
CN[C@@H](C)C(=O)N[C@@H](CCc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C28H36FN5O7S 605.689000 |
OMGLGDZBHKICGG-IMNFJDCFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50501940; PubChem:CID155529198
|
Local ready
Direct docking supported
|
|
E3L058065
BDB058065
|
BDBM50501941
CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C28H37FN6O6S 604.705000 |
IBQWAPRWALYKBM-IMNFJDCFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50501941
|
Local ready
Direct docking supported
|
|
E3L058066
BDB058066
|
BDBM50501942
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C28H35FN6O8S 634.687000 |
PHSXLFKGIDKEJS-ZMVGRULKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50501942
|
Local ready
Direct docking supported
|
|
E3L058067
BDB058067
|
BDBM50501943
CN[C@@H](C)C(=O)N[C@@H](CCNC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C29H37FN6O7S 632.715000 |
IXKZMODPGURCIN-IMNFJDCFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50501943
|
Local ready
Direct docking supported
|
|
E3L058068
BDB058068
|
BDBM50501944
CN[C@@H](C)C(=O)N[C@@H](CCCNC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C30H39FN6O7S 646.742000 |
AMRVVLGYSQKIMV-KMAVCZJNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50501944
|
Local ready
Direct docking supported
|
|
E3L058069
BDB058069
|
BDBM50501945
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1
|
C27H33FN4O6S 560.648000 |
ARJRACZDFPWOBL-DPSWKAHMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50501945; PubChem:CID155261305
|
Local ready
Direct docking supported
|
|
E3L058070
BDB058070
|
BDBM50501946
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21
|
C27H32F2N4O6S 578.638000 |
VYJTVHQPRHYCQH-ZFIFVKQDSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50501946; PubChem:CID155512591
|
Local ready
Direct docking supported
|
|
E3L058071
BDB058071
|
BDBM50501947
CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21
|
C28H35F2N5O5S 591.681000 |
WSLFUAWAUHIFMR-VUHWMDJISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50501947
|
Local ready
Direct docking supported
|
|
E3L058072
BDB058072
|
BDBM50502496
COC1CN=C2c3ccn([C@@H]4O[C@H]([C@H](O)c5ccc(Cl)cc5)[C@@H](O)[C@H]4O)c3N=CN21
|
C20H21ClN4O5 432.864000 |
JNTYAYKBSNBARW-MDSNGIMYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50502496; PubChem:CID135308815
|
Local ready
Direct docking supported
|
|
E3L058073
BDB058073
|
BDBM50502497
O=CCNc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C19H19ClN4O5 418.837000 |
XDGPGIJAAMLWOB-PPLBCVRQSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50502497; PubChem:CID138753159
|
Local ready
Direct docking supported
|
|
E3L058074
BDB058074
|
Prmt5-IN-1
OC1CN=C2c3ccn([C@@H]4O[C@H]([C@H](O)c5ccc(Cl)cc5)[C@@H](O)[C@H]4O)c3N=CN21
|
C19H19ClN4O5 418.837000 |
LTPABOINPMWTKU-BHUSIORFSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50502498; PubChem:CID135308826
|
Local ready
Direct docking supported
|
|
E3L058075
BDB058075
|
BDBM50502499
CC(=O)CNc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
|
C20H20F2N4O5 434.399000 |
WPJVJIWFDRRKJW-QRXRQMIZSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50502499; PubChem:CID135316976
|
Local ready
Direct docking supported
|
|
E3L058076
BDB058076
|
BDBM50502500
OC1CCN=C2c3ccn([C@@H]4O[C@H]([C@H](O)c5ccc(Cl)cc5)[C@@H](O)[C@H]4O)c3N=CN21
|
C20H21ClN4O5 432.864000 |
WTDCXVGMCRJYHS-MDSNGIMYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50502500; PubChem:CID135308505
|
Local ready
Direct docking supported
|
|
E3L058077
BDB058077
|
BDBM50502501
COC(CNc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O)OC
|
C21H25ClN4O6 464.906000 |
SFXBSODSUAZMSY-NAIAOIPJSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50502501; PubChem:CID135308090
|
Local ready
Direct docking supported
|
|
E3L058078
BDB058078
|
BDBM50502539
Cc1cc(Cc2cc(-c3ccc(Br)cc3)on2)cc(C)c1OC(C)(C)C(=O)O
|
C22H22BrNO4 444.325000 |
HJPRVOFIFGNSCI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50502539; PubChem:CID155534748
|
Local ready
Direct docking supported
|
|
E3L058079
BDB058079
|
BDBM50502540
Cc1cc(Cc2cc(-c3ccccc3)on2)cc(C)c1OC(C)(C)C(=O)O
|
C22H23NO4 365.429000 |
XITCPDHPOZOQKK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50502540; PubChem:CID155540131
|
Local ready
Direct docking supported
|
|
E3L058080
BDB058080
|
BDBM50502541
CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1
|
C22H24O4S 384.497000 |
AFLFKFHDSCQHOL-IZZDOVSWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50502541; PubChem:CID9864881
|
Local ready
Direct docking supported
|