| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020781
BDB020781
|
US10981898, Example 33
CC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1Br)C2(O)c1ccc(Cl)cc1
|
C23H16BrCl2NO3 505.195000 |
BVRNRDKNHVCXOA-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492938; PubChem:CID135281516
|
Local ready
Direct docking supported
|
|
E3L020782
BDB020782
|
US10981898, Example 34
CC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)C2(OCC1(CO)CC1)c1ccc(Cl)cc1
|
C32H32Cl2N2O7S 659.588000 |
DGEPPPXNDGHECM-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492939; PubChem:CID137411599
|
Local ready
Direct docking supported
|
|
E3L020783
BDB020783
|
US10981898, Example 35
CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cc1S(C)(=O)=O)[C@@]2(OCC1(C(N)=O)CC1)c1ccc(Cl)cc1
|
C30H29Cl2FN2O6S 635.541000 |
QXTIAAQSOXPAAN-SSEXGKCCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492940; PubChem:CID135281548
|
Local ready
Direct docking supported
|
|
E3L020784
BDB020784
|
US10981898, Example 53
CC(C)(O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)[C@@]2(OC[C@@H]1CC[C@@H]1CO)c1ccc(Cl)cc1
|
C30H31Cl2NO4 540.487000 |
YJPCYIKTKXDGAX-PHKGMDLESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492956; PubChem:CID137411532
|
Local ready
Direct docking supported
|
|
E3L020785
BDB020785
|
US10981898, Example 54
C[C@](O)(C(=O)N1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)[C@@]2(OCC1(CO)CC1)c1ccc(Cl)cc1
|
C33H34Cl2N2O5 609.550000 |
AVCINXLMIYQZIG-ZQWAWDFXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492957; PubChem:CID156907819
|
Local ready
Direct docking supported
|
|
E3L020786
BDB020786
|
US10981898, Example 68
CN1CCN(CC(C)(O)c2cc(F)c3c(c2)C(=O)N(Cc2ccc(Cl)cc2S(C)(=O)=O)[C@@]3(O[C@@H]2CCOC2)c2ccc(Cl)cc2)CC1
|
C34H38Cl2FN3O6S 706.664000 |
GEZPZMXREXHEJZ-GKHSUDMDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492968; PubChem:CID135281696
|
Local ready
Direct docking supported
|
|
E3L020787
BDB020787
|
US10981898, Example 76
Cn1cc(C(C)(O)c2cc(F)c3c(c2)C(=O)N(Cc2ccc(Cl)cc2S(C)(=O)=O)[C@@]3(OCC2(O)CC2)c2ccc(Cl)cc2)cn1
|
C32H30Cl2FN3O6S 674.578000 |
FATKFLNSLQQUOY-BDJZEIKTSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492975; PubChem:CID135281442
|
Local ready
Direct docking supported
|
|
E3L020788
BDB020788
|
US10981898, Example 78
CN1CCN(CC(C)(O)c2cc(F)c3c(c2)C(=O)N(Cc2ccc(Cl)cc2S(C)(=O)=O)[C@@]3(OCC2(CO)CC2)c2ccc(Cl)cc2)CC1
|
C35H40Cl2FN3O6S 720.691000 |
UAASDXMLTUDYGD-PWXSHKNQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492976; PubChem:CID135281423
|
Local ready
Direct docking supported
|
|
E3L020789
BDB020789
|
US10981898, Example 79
CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cc1Br)[C@@]2(OCC1(C#N)CC1)c1ccc(Cl)cc1
|
C29H24BrCl2FN2O3 618.330000 |
HONPZSDBHRBCAL-GDLZYMKVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492977; PubChem:CID135281574
|
Local ready
Direct docking supported
|
|
E3L020790
BDB020790
|
US10981898, Example 81
CN1CCC(C(C)(O)c2cc(F)c3c(c2)C(=O)N(Cc2ccc(Cl)cc2S(C)(=O)=O)C3(O)c2ccc(Cl)cc2)CC1
|
C30H31Cl2FN2O5S 621.558000 |
NNVXEGMVOBLWBC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492978; PubChem:CID135281432
|
Local ready
Direct docking supported
|
|
E3L020791
BDB020791
|
US10981898, Example 98
CO[C@]1(c2ccc(Cl)cc2)c2c(F)cc([C@](C)(O)C3(F)CCOCC3)cc2C(=O)N1[C@@H](CC(=O)O)c1ccc(Cl)cc1
|
C31H29Cl2F2NO6 620.476000 |
HZTQINJSGAPBLS-ZITMISKDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492987; PubChem:CID156907832
|
Local ready
Direct docking supported
|
|
E3L020792
BDB020792
|
US10981898, Example 99
CO[C@]1(c2ccc(Cl)cc2)c2c(F)cc([C@@](C)(O)C3(F)CCOCC3)cc2C(=O)N1[C@@H](CC(=O)O)c1ccc(Cl)cc1
|
C31H29Cl2F2NO6 620.476000 |
HZTQINJSGAPBLS-FPHQXIGGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM492988; PubChem:CID156907833
|
Local ready
Direct docking supported
|
|
E3L020793
BDB020793
|
BDBM495169
Cc1nnc(-n2cc(Cc3sc(C)nc3C)c3ccc(S(=O)(=O)NC4(C)CC4)cc32)s1
|
C21H23N5O2S3 473.649000 |
JARZVIBTIBGCGT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM495169; PubChem:CID121415898
|
Local ready
Direct docking supported
|
|
E3L020794
BDB020794
|
BDBM498083
Fc1ccc2c(c1CNc1ncc(C3=CCOCC3)c3nncn13)CCO2
|
C19H18FN5O2 367.384000 |
PPONVVPFTUWVON-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498083; PubChem:CID138515961
|
Local ready
Direct docking supported
|
|
E3L020795
BDB020795
|
BDBM498084
Fc1ccc2c(c1CNc1ncc(C3=CCSCC3)c3nncn13)CCO2
|
C19H18FN5OS 383.452000 |
MCLOYHSXGSUSLW-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498084; PubChem:CID138516091
|
Local ready
Direct docking supported
|
|
E3L020796
BDB020796
|
BDBM498086
CC(C)(C)OC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
|
C24H27FN6O3 466.517000 |
SJLZNBVLZJLFOV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498086; PubChem:CID138516257
|
Local ready
Direct docking supported
|
|
E3L020797
BDB020797
|
BDBM498087
C1=C(c2cnc(NCc3ccco3)n3cnnc23)CCOC1
|
C15H15N5O2 297.318000 |
WOEKJRLDGHOOOO-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498087; PubChem:CID138516138
|
Local ready
Direct docking supported
|
|
E3L020798
BDB020798
|
BDBM498089
C1=C(c2cnc(NCc3ccco3)n3cnnc23)CCSC1
|
C15H15N5OS 313.386000 |
SUCAOJQWQCUZOE-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498089; PubChem:CID138516324
|
Local ready
Direct docking supported
|
|
E3L020799
BDB020799
|
BDBM498091
CC(C)(C)OC(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
|
C20H24N6O3 396.451000 |
PRHRGMYBHVSWIV-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498091; PubChem:CID138515945
|
Local ready
Direct docking supported
|
|
E3L020800
BDB020800
|
BDBM498092
Fc1ccc2c(c1CNc1ncc(C3=CCNCC3)c3nncn13)CCO2
|
C19H19FN6O 366.400000 |
KDYLMJROLWJNNS-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM498092; PubChem:CID138515922
|
Local ready
Direct docking supported
|