| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064881
BDB064881
|
BDBM50640370
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
|
C37H48BFN4O5 658.624000 |
KQSQASCVGNZIRJ-BYKHCDSLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50640370
|
Local ready
Direct docking supported
|
|
E3L064882
BDB064882
|
PD-1/PD-L1-IN-38
CC(=O)O[C@H]1Oc2c(C(C)C)cc3ccc4c(C)c(C)ccc4c3c2O[C@H]1c1ccccc1
|
C29H28O4 440.539000 |
XMHMVSQQAMERJL-WNJJXGMVSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50640693; PubChem:CID170453228
|
Local ready
Direct docking supported
|
|
E3L064883
BDB064883
|
(2R,3S)-PD-1/PD-L1-IN-38
CC(=O)O[C@@H]1Oc2c(C(C)C)cc3ccc4c(C)c(C)ccc4c3c2O[C@@H]1c1ccccc1
|
C29H28O4 440.539000 |
XMHMVSQQAMERJL-GGXMVOPNSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50640694; PubChem:CID170453230
|
Local ready
Direct docking supported
|
|
E3L064884
BDB064884
|
BDBM50640695
Cc1cccc2c1ccc1cc(C(C)C)c3c(c12)O[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)O3
|
C35H30O8 578.617000 |
PSHRTNAETFCBOD-WNPPLKHISA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50640695; PubChem:CID177380849
|
Local ready
Direct docking supported
|
|
E3L064885
BDB064885
|
BDBM50640696
Cc1cccc2c1ccc1cc(C(C)C)c3c(c12)O[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)O3
|
C35H30O8 578.617000 |
PSHRTNAETFCBOD-MXVXFNSUSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50640696; PubChem:CID177380850
|
Local ready
Direct docking supported
|
|
E3L064886
BDB064886
|
BDBM50640697
Cc1cccc2c1ccc1cc(C(C)C)c3c(c12)O[C@H](c1ccc(O)c(O)c1)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)O3
|
C35H30O8 578.617000 |
ODVJJEUIDBHHFB-MXVXFNSUSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50640697; PubChem:CID177380851
|
Local ready
Direct docking supported
|
|
E3L064887
BDB064887
|
BDBM50640698
Cc1cccc2c1ccc1cc(C(C)C)c3c(c12)O[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)O3
|
C35H30O8 578.617000 |
ODVJJEUIDBHHFB-WNPPLKHISA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50640698; PubChem:CID177380852
|
Local ready
Direct docking supported
|
|
E3L064888
BDB064888
|
PROTAC BTK Degrader-6
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C(=O)CN2CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)CC1
|
C45H47N11O6 837.942000 |
SPGWKNITNYHIGX-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50640859; PubChem:CID168476120
|
Local ready
Direct docking supported
|
|
E3L064889
BDB064889
|
PROTAC BTK Degrader-9
Cc1cc(-c2nc(Nc3cnn(C4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c3)ncc2F)ccc1CNC(=O)c1cn(C(C)(C)C)nn1
|
C46H52FN13O5 886.006000 |
YJSLNCQHRATHFV-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50640860; PubChem:CID171037439
|
Local ready
Direct docking supported
|
|
E3L064890
BDB064890
|
BDBM50641309
COc1cccc2cc(-c3cc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12
|
C22H23N5O3 405.458000 |
LFGXKIVXIWOATF-JOCQHMNTSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50641309
|
Local ready
Direct docking supported
|
|
E3L064891
BDB064891
|
BDBM50641972
COc1ccc2c(c1CC(=O)O)Oc1c(ccc(OC)c1CC(=O)N1[C@H](c3cc([N+](=O)[O-])cc(OC)c3OCC(=O)O)N(C)C(=O)[C@@H]1C)C2(C)C
|
C35H37N3O13 707.689000 |
PGHDTEOXCASCRK-UGAOPGRHSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50641972
|
Local ready
Direct docking supported
|
|
E3L064892
BDB064892
|
BDBM50641973
COc1ccc2c(c1CC(=O)O)Oc1c(ccc(OC)c1CC(=O)N1[C@@H](C)C(=O)N(C)[C@@H]1c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)C2(C)C
|
C35H37N3O13 707.689000 |
PGHDTEOXCASCRK-GTOJURISSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50641973
|
Local ready
Direct docking supported
|
|
E3L064893
BDB064893
|
BDBM50641974
CCOC(=O)COc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)O)C2(C)C
|
C37H41N3O13 735.743000 |
FOMWYPGWNGTFQR-HSVJZKSBSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50641974
|
Local ready
Direct docking supported
|
|
E3L064894
BDB064894
|
BDBM50641975
COc1ccc2c(c1CC(=O)O)Oc1c(ccc(OC)c1CC(=O)N1[C@@H](C)C(=O)N[C@H]1c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)C2(C)C
|
C34H35N3O13 693.662000 |
VXIRLGMYNOXUBK-MWOWJKGTSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50641975; PubChem:CID177381692
|
Local ready
Direct docking supported
|
|
E3L064895
BDB064895
|
BDBM50641976
CCN1C(=O)[C@H](C)N(C(=O)Cc2c(OC)ccc3c2Oc2c(ccc(OC)c2CC(=O)O)C3(C)C)[C@@H]1c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O
|
C36H39N3O13 721.716000 |
GMLVOFPHFCRHAS-USXNREEHSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50641976
|
Local ready
Direct docking supported
|
|
E3L064896
BDB064896
|
BDBM50641977
COc1ccc2c(c1CC(=O)O)Oc1c(ccc(OC)c1CC(=O)N1CC(=O)N(C)[C@H]1c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)C2(C)C
|
C34H35N3O13 693.662000 |
UIAYAWTZDVKNPA-MGBGTMOVSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50641977; PubChem:CID177381694
|
Local ready
Direct docking supported
|
|
E3L064897
BDB064897
|
BDBM50641978
CC[C@H]1C(=O)N(C)[C@@H](c2cc([N+](=O)[O-])cc(OC)c2OCC(=O)O)N1C(=O)Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)O)C2(C)C
|
C36H39N3O13 721.716000 |
LFPHYTDIVOOSTI-YUYWZBKDSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50641978
|
Local ready
Direct docking supported
|
|
E3L064898
BDB064898
|
BDBM50641979
CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)O)C2(C)C
|
C35H39N3O11 677.707000 |
HFSVXODZAAUHDB-RTHCMUBDSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50641979; PubChem:CID177381696
|
Local ready
Direct docking supported
|
|
E3L064899
BDB064899
|
BDBM50641980
CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(N)=O)C2(C)C
|
C35H40N4O10 676.723000 |
ZJJAWOVMHSOAKQ-RTHCMUBDSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50641980; PubChem:CID177381697
|
Local ready
Direct docking supported
|
|
E3L064900
BDB064900
|
BDBM50641981
CCOc1c(OC)cc([N+](=O)[O-])cc1[C@@H]1N(C)C(=O)[C@H](C)N1C(=O)Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC#N)C2(C)C
|
C35H38N4O9 658.708000 |
BXZXOKFIFNVNBL-DUTUXMCTSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50641981; PubChem:CID177381698
|
Local ready
Direct docking supported
|