| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019461
BDB019461
|
US10730870, Example 146
Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)C)on1
|
C25H30N4O4S 482.606000 |
LIUCLKNTUXMZEI-URVUXULASA-N | P40337, P62877, Q13617 | Cullin-2, von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM454976; PubChem:CID122529149
|
Local ready
Direct docking supported
|
|
E3L019462
BDB019462
|
US10730870, Example 147
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1
|
C29H32N4O5S 548.665000 |
GOSCLHOHGYKRKR-QORCZRPOSA-N | P40337, P62877, Q13617 | von Hippel-Lindau disease tumor suppressor, Cullin-2 |
BindingDB, PubChem
BindingDB:BDBM454977; PubChem:CID122529205
|
Local ready
Direct docking supported
|
|
E3L019463
BDB019463
|
US10730870, Example 148
CCC[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1
|
C23H30N4O4S 458.584000 |
GGSNUKMBKAATAO-AABGKKOBSA-N | P40337, P62877, Q13617 | Cullin-2, von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM454978; PubChem:CID122529242
|
Local ready
Direct docking supported
|
|
E3L019464
BDB019464
|
US10730870, Example 205
Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)C)on1
|
C26H32N4O4S 496.633000 |
VYCNBMDYKYYQOH-ZERUQHPESA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM454979; PubChem:CID122529213
|
Local ready
Direct docking supported
|
|
E3L019465
BDB019465
|
US10730870, Example 207
CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](c1cc(C)no1)C(C)C)c1ccc(-c2scnc2C)cc1
|
C27H34N4O4S 510.660000 |
DMLMBVLXCGBBOO-HOUBMWHVSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM454980; PubChem:CID122528970
|
Local ready
Direct docking supported
|
|
E3L019466
BDB019466
|
US10730870, Example 208
COc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)C)on1
|
C25H30N4O5S 498.605000 |
DRLPBXWROOXNQA-XQBPLPMBSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM454981; PubChem:CID122528973
|
Local ready
Direct docking supported
|
|
E3L019467
BDB019467
|
BDBM455297
COCc1nn(Cc2ccc(N3CCCC3)nc2)cc1C(=O)NCc1c(-n2cnnn2)ccc(OC)c1F
|
C25H28FN9O3 521.557000 |
DGIRMJAUTLUPMU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM455297; PubChem:CID139301849
|
Local ready
Direct docking supported
|
|
E3L019468
BDB019468
|
BDBM458390
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)cc12
|
C33H29N3O5 547.611000 |
IIJDFXNUWZTHIM-OAQYLSRUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM458390; PubChem:CID46846227
|
Local ready
Direct docking supported
|
|
E3L019469
BDB019469
|
BDBM458391
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12
|
C33H29N3O5 547.611000 |
IIJDFXNUWZTHIM-NRFANRHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM458391; PubChem:CID53239854
|
Local ready
Direct docking supported
|
|
E3L019470
BDB019470
|
BDBM458393
Cc1c(C)n(Cc2ccc(-c3ccc(Cl)c(O[C@H](C)C(=O)O)c3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12
|
C39H41ClN2O4 637.220000 |
UYKWJKWHFVZVRZ-AZGAKELHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM458393; PubChem:CID155903301
|
Local ready
Direct docking supported
|
|
E3L019471
BDB019471
|
BDBM464515
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1
|
C34H40N6O4S 628.799000 |
OVBVSKMULHRPLN-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464515; PubChem:CID139543612
|
Local ready
Direct docking supported
|
|
E3L019472
BDB019472
|
BDBM464516
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(CCN5CCOCC5)nc4)cc32)CC1
|
C35H41N5O5S 643.810000 |
YKKKRDOYUHRXGT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464516; PubChem:CID177667876
|
Local ready
Direct docking supported
|
|
E3L019473
BDB019473
|
BDBM464517
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(CN(C)C)cc4)cc32)CC1
|
C33H38N4O4S 586.758000 |
KQZUHEQOOFRWLT-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464517; PubChem:CID139543613
|
Local ready
Direct docking supported
|
|
E3L019474
BDB019474
|
BDBM464519
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(OCCN(C)C)cc4)cc32)CC1
|
C34H40N4O5S 616.784000 |
IDXPXMVIBMRQOQ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464519; PubChem:CID139543673
|
Local ready
Direct docking supported
|
|
E3L019475
BDB019475
|
BDBM464521
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4cccnc4)cc32)CC1
|
C29H30N4O4S 530.650000 |
GAONPGUWXYMAFL-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464521; PubChem:CID139543580
|
Local ready
Direct docking supported
|
|
E3L019476
BDB019476
|
BDBM464522
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N(C)C)nc4)cc32)CC1
|
C31H35N5O4S 573.719000 |
BALAMQDRTOANLE-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464522; PubChem:CID139543581
|
Local ready
Direct docking supported
|
|
E3L019477
BDB019477
|
BDBM464523
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N)nc4)cc32)CC1
|
C29H31N5O4S 545.665000 |
NGJOFEAFUUWSPF-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464523; PubChem:CID139543582
|
Local ready
Direct docking supported
|
|
E3L019478
BDB019478
|
BDBM464524
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(C#N)nc4)cc32)CC1
|
C30H29N5O4S 555.660000 |
UZQRENLBCVENGS-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464524; PubChem:CID139543583
|
Local ready
Direct docking supported
|
|
E3L019479
BDB019479
|
BDBM464525
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(OCCCN(C)C)cc4)cc32)CC1
|
C35H42N4O5S 630.811000 |
LMLUBZPQRJHUAE-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464525; PubChem:CID139543614
|
Local ready
Direct docking supported
|
|
E3L019480
BDB019480
|
BDBM464526
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCOCC5)nc4)cc32)CC1
|
C33H37N5O5S 615.756000 |
QIGNMNWSIWMPBO-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464526; PubChem:CID139543589
|
Local ready
Direct docking supported
|