| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056621
BDB056621
|
BDBM50447845
CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)NCc1cc(Cl)ccc1CN
|
C19H28ClN3O5S 445.969000 |
CLJFVHRZLPWKHB-HOTGVXAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50447845; PubChem:CID71748113
|
Local ready
Direct docking supported
|
|
E3L056622
BDB056622
|
BDBM50447846
CC(C)(C)[C@@H](O)C(=O)N1CCSC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
|
C19H28ClN3O3S 413.971000 |
NTCIXIFCFSINOS-HOTGVXAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50447846; PubChem:CID60150643
|
Local ready
Direct docking supported
|
|
E3L056623
BDB056623
|
BDBM50447847
CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
|
C19H28ClN3O4 397.903000 |
VIBLPWPPWBZROD-HOTGVXAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50447847; PubChem:CID71748095
|
Local ready
Direct docking supported
|
|
E3L056624
BDB056624
|
BDBM50447848
CN1CCN(C(=O)[C@H](O)C(C)(C)C)[C@H](C(=O)NCc2cc(Cl)ccc2CN)C1
|
C20H31ClN4O3 410.946000 |
XCKMDTIMMRBONX-IRXDYDNUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50447848; PubChem:CID71748094
|
Local ready
Direct docking supported
|
|
E3L056625
BDB056625
|
BDBM50447849
CC(C)(C)[C@@H](O)C(=O)N1CCNC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
|
C19H29ClN4O3 396.919000 |
ZRDPCADUQGGZIN-HOTGVXAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50447849; PubChem:CID71748093
|
Local ready
Direct docking supported
|
|
E3L056626
BDB056626
|
BDBM50447850
CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
|
C20H30ClN3O3 395.931000 |
ADLHOYNNHIATDP-IRXDYDNUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50447850; PubChem:CID71748092
|
Local ready
Direct docking supported
|
|
E3L056627
BDB056627
|
BDBM50447851
CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
|
C19H28ClN3O3 381.904000 |
PNAHCXCCVILOIN-HOTGVXAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50447851; PubChem:CID11740591
|
Local ready
Direct docking supported
|
|
E3L056628
BDB056628
|
BDBM50448931
CC[C@@H](CS(=O)(=O)c1ccccc1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C30H31Cl2NO5S 588.553000 |
ZDMLNNOTTZAABS-ATBUFXNFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448931; PubChem:CID58573438
|
Local ready
Direct docking supported
|
|
E3L056629
BDB056629
|
BDBM50448932
CC[C@@H](CS(=O)(=O)C1COC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C27H31Cl2NO6S 568.519000 |
BHSIYGJGLVVMLS-OCBXDECUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448932; PubChem:CID68000113
|
Local ready
Direct docking supported
|
|
E3L056630
BDB056630
|
BDBM50448933
CC[C@@H](CS(=O)(=O)C1CCCC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C29H35Cl2NO5S 580.574000 |
MDPNIWLYEOXYTH-OCAOGGMISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448933; PubChem:CID68001022
|
Local ready
Direct docking supported
|
|
E3L056631
BDB056631
|
BDBM50448934
CC[C@@H](CS(=O)(=O)C1CCC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C28H33Cl2NO5S 566.547000 |
DESXNNIXZPJORD-NUWWLQTNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448934; PubChem:CID67999497
|
Local ready
Direct docking supported
|
|
E3L056632
BDB056632
|
BDBM50448935
CC[C@@H](CS(=O)(=O)CC1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C28H33Cl2NO5S 566.547000 |
PHSXCIHKZKDKHQ-ONRXEWETSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448935; PubChem:CID68000585
|
Local ready
Direct docking supported
|
|
E3L056633
BDB056633
|
BDBM50448936
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C28H35Cl2NO5S 568.563000 |
AXQMSOFCQLTJGV-ZJTSJXPUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448936; PubChem:CID68000593
|
Local ready
Direct docking supported
|
|
E3L056634
BDB056634
|
BDBM50448937
CC[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C27H33Cl2NO5S 554.536000 |
UKUKMRCKUSKOMK-CXQACEEJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448937; PubChem:CID67998916
|
Local ready
Direct docking supported
|
|
E3L056635
BDB056635
|
BDBM50448938
CC[C@@H](CS(=O)(=O)C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C27H31Cl2NO5S 552.520000 |
IOLRGTBIJIDHTR-OCBXDECUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448938; PubChem:CID58573904
|
Local ready
Direct docking supported
|
|
E3L056636
BDB056636
|
BDBM50448939
CC[C@@H](CS(=O)(=O)CC)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C26H31Cl2NO5S 540.509000 |
WOEXCIRNQPQVLZ-SODSZRCFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448939; PubChem:CID58573149
|
Local ready
Direct docking supported
|
|
E3L056637
BDB056637
|
BDBM50448940
CC[C@@H](CCS(C)(=O)=O)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C26H31Cl2NO5S 540.509000 |
KUCIUFLWTCBDKE-SODSZRCFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448940; PubChem:CID76328991
|
Local ready
Direct docking supported
|
|
E3L056638
BDB056638
|
BDBM50448941
CC[C@@H](CS(C)(=O)=O)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C25H29Cl2NO5S 526.482000 |
XQBLZSNCUVVCBF-KWLZBDKBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448941; PubChem:CID58573595
|
Local ready
Direct docking supported
|
|
E3L056639
BDB056639
|
BDBM50448942
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)N2CCC2)C2CC2)C1=O
|
C28H32Cl2N2O5S 579.546000 |
SXSRMKULCNELMF-YWCVFVGNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448942; PubChem:CID68000692
|
Local ready
Direct docking supported
|
|
E3L056640
BDB056640
|
BDBM50448943
CC[C@@H](CNS(C)(=O)=O)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C25H30Cl2N2O5S 541.497000 |
XITAAXSCXPXQMN-KWLZBDKBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50448943; PubChem:CID67998895
|
Local ready
Direct docking supported
|