| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019521
BDB019521
|
BDBM464572
Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2CCN3S(=O)(=O)C(C)C)c(=O)[nH]1
|
C30H38N6O4S 578.739000 |
MRSABGAGWFPBGX-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464572; PubChem:CID139543611
|
Local ready
Direct docking supported
|
|
E3L019522
BDB019522
|
BDBM464573
C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(N4C=CN(CN(C)C)C=C4)cc32)CC1
|
C31H38N6O4S 590.750000 |
QVRCUVHEAFEEBI-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464573; PubChem:CID177666769
|
Local ready
Direct docking supported
|
|
E3L019523
BDB019523
|
BDBM464574
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
|
C33H40N4O4S 588.774000 |
FCPWJBBWYVFEFM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464574; PubChem:CID139543681
|
Local ready
Direct docking supported
|
|
E3L019524
BDB019524
|
BDBM464575
C=CCC1(S(=O)(=O)N2CCc3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1
|
C33H40N6O4S 616.788000 |
KRIHFEABRBYNSB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464575; PubChem:CID139543683
|
Local ready
Direct docking supported
|
|
E3L019525
BDB019525
|
BDBM464576
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
|
C34H42N6O4S 630.815000 |
ZOCJIFRFYZKPCJ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM464576
|
Local ready
Direct docking supported
|
|
E3L019526
BDB019526
|
BDBM464577
C=CCC1(S(=O)(=O)n2nc(C(F)F)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1
|
C33H37F2N7O4S 665.767000 |
ZFRSGLDCAQAUJB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM464577
|
Local ready
Direct docking supported
|
|
E3L019527
BDB019527
|
BDBM464578
C=CCC1(S(=O)(=O)n2nc(C)c3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1
|
C33H39N7O4S 629.787000 |
SMZHMYWXZCWMOM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464578; PubChem:CID139543684
|
Local ready
Direct docking supported
|
|
E3L019528
BDB019528
|
BDBM464579
C=CCCS(=O)(=O)n1nc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21
|
C31H37N7O4S 603.749000 |
KXKHVGAAZDADOY-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464579; PubChem:CID177668167
|
Local ready
Direct docking supported
|
|
E3L019529
BDB019529
|
BDBM464580
C#CCCS(=O)(=O)n1cc(C)c2c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21
|
C32H36N6O5S 616.744000 |
ISFOOHZGXXVIFR-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM464580; PubChem:CID139543715
|
Local ready
Direct docking supported
|
|
E3L019530
BDB019530
|
Parp1-IN-36
NC(=O)c1cccc2c1C(=O)N(C1CCN(C3CCCCC3)CC1)C2
|
C20H27N3O2 341.455000 |
QBKPYKWJSWOHNY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM466534; PubChem:CID73776940
|
Local ready
Direct docking supported
|
|
E3L019531
BDB019531
|
BDBM466541
NC(=O)c1cccc2c1C(=O)N(CCCN1CCc3ccccc3C1)C2
|
C21H23N3O2 349.434000 |
CPZFBGJDYPLHHM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM466541; PubChem:CID73774808
|
Local ready
Direct docking supported
|
|
E3L019532
BDB019532
|
BDBM466542
NC(=O)c1cccc2c1C(=O)N(CCCN1CCCc3ccccc31)C2
|
C21H23N3O2 349.434000 |
BLEKTFVHUNKMKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM466542; PubChem:CID73774809
|
Local ready
Direct docking supported
|
|
E3L019533
BDB019533
|
BDBM466543
NC(=O)c1cccc2c1C(=O)N(CCCN1CCN(c3ccccc3)CC1)C2
|
C22H26N4O2 378.476000 |
QUPVUNKXVXHSQT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM466543; PubChem:CID73774811
|
Local ready
Direct docking supported
|
|
E3L019534
BDB019534
|
BDBM466544
NC(=O)c1cc(F)cc2c1C(=O)N(CCCN1CCOCC1)C2
|
C16H20FN3O3 321.352000 |
YYMORWAQDHOTFE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM466544; PubChem:CID73774812
|
Local ready
Direct docking supported
|
|
E3L019535
BDB019535
|
Itareparib
NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCCCC3)CC1)C2
|
C20H26FN3O2 359.445000 |
FKYQTFXJWMLOJE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM466548; PubChem:CID73774960
|
Local ready
Direct docking supported
|
|
E3L019536
BDB019536
|
US10807959, Example 2
O=C(NC(C1CC1)C1CC1)c1cc(CNC2=NCCN2)cc(-c2ccc(F)cc2Cl)c1
|
C24H26ClFN4O 440.950000 |
IAJHBHHTWPWBQR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468656; PubChem:CID146370880
|
Local ready
Direct docking supported
|
|
E3L019537
BDB019537
|
US10807959, Example 3
COc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)cc3Cl)c2)cc(OC)c1
|
C26H26ClFN4O3 496.970000 |
NCDDOTFEQCIEET-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468657; PubChem:CID146370897
|
Local ready
Direct docking supported
|
|
E3L019538
BDB019538
|
US10807959, Example 110
O=C(NCc1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cn2ccnc2)c1
|
C18H14Cl3N3O 394.689000 |
FQDHIPIENIYXFJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468698; PubChem:CID146370876
|
Local ready
Direct docking supported
|
|
E3L019539
BDB019539
|
US10807959, Example 111
COc1cc(CNC(=O)c2cc(Cl)cc(Cn3ccnc3)c2)cc(OC)c1
|
C20H20ClN3O3 385.851000 |
UMMZDUDQWHLSAQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468699; PubChem:CID146370871
|
Local ready
Direct docking supported
|
|
E3L019540
BDB019540
|
US10807959, Example 112
Cc1ccc(CNC(=O)c2cc(Cl)cc(Cn3ccnc3)c2)cc1Cl
|
C19H17Cl2N3O 374.271000 |
GEMSEPIHRWFUHO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468700; PubChem:CID146370793
|
Local ready
Direct docking supported
|