| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064841
BDB064841
|
BDBM50639724
NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)nc12
|
C24H21N5O4 443.463000 |
KWOPWRFTBIKYGA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639724; PubChem:CID164900115
|
Local ready
Direct docking supported
|
|
E3L064842
BDB064842
|
BDBM50639725
NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c(F)c3)nc12
|
C24H20FN5O4 461.453000 |
VBFWUZPUICDYCV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639725; PubChem:CID177376740
|
Local ready
Direct docking supported
|
|
E3L064843
BDB064843
|
BDBM50639726
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3F)CC2C)o1
|
C26H24FN5O4 489.507000 |
BMXBUOUEZDJIAV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639726; PubChem:CID177376741
|
Local ready
Direct docking supported
|
|
E3L064844
BDB064844
|
BDBM50639727
Cc1ccoc1C(=O)N1CCN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2F)CC1C
|
C26H24FN5O4 489.507000 |
YGMNJMCOSLZKRR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639727; PubChem:CID177376742
|
Local ready
Direct docking supported
|
|
E3L064845
BDB064845
|
BDBM50639728
CC1CN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2F)CCN1C(=O)c1ccc(Cl)o1
|
C25H21ClFN5O4 509.925000 |
RONJODICNPJBCE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639728; PubChem:CID177376743
|
Local ready
Direct docking supported
|
|
E3L064846
BDB064846
|
BDBM50639729
CC1CN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2F)CCN1C(=O)c1ccc(Br)o1
|
C25H21BrFN5O4 554.376000 |
MCXSEENXEFOIPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639729; PubChem:CID177376744
|
Local ready
Direct docking supported
|
|
E3L064847
BDB064847
|
BDBM50639730
NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)NC4CCN(c5ccco5)C4)c(F)c3)nc12
|
C23H20FN5O3 433.443000 |
KFRWKSUNAHGYEF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639730; PubChem:CID177376745
|
Local ready
Direct docking supported
|
|
E3L064848
BDB064848
|
BDBM50639731
NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)NC4CCN(c5ccc(Cl)o5)C4)c(F)c3)nc12
|
C23H19ClFN5O3 467.888000 |
ABKMHCCATBMDTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639731; PubChem:CID177376746
|
Local ready
Direct docking supported
|
|
E3L064849
BDB064849
|
BDBM50639732
NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)NC4CCN(c5ccc(Br)o5)C4)c(F)c3)nc12
|
C23H19BrFN5O3 512.339000 |
VXAIQNWSLLVIKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639732; PubChem:CID177376747
|
Local ready
Direct docking supported
|
|
E3L064850
BDB064850
|
BDBM50639777
CC(C)NCc1ccc(-c2[nH]c3cccc4c3c2C=NNC4=O)cc1
|
C20H20N4O 332.407000 |
CDDMAJJEUDLCTJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50639777; PubChem:CID177376778
|
Local ready
Direct docking supported
|
|
E3L064851
BDB064851
|
BDBM50639832
COc1cc2c(O[C@H]3CC[C@@H](N)CC3)ncnc2cc1OCc1ccccc1
|
C22H25N3O3 379.460000 |
SQMLTGNETHMAHV-CALCHBBNSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50639832
|
Local ready
Direct docking supported
|
|
E3L064852
BDB064852
|
BDBM50639836
CN(CCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
|
C41H45F3N8O6 802.855000 |
FPHKCZOCTJCWAD-VAPNJYICSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50639836
|
Local ready
Direct docking supported
|
|
E3L064853
BDB064853
|
BDBM50639837
CN(CCCN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
|
C42H47F3N8O6 816.882000 |
SIVKMVMSQFNJAG-KBOGUJPVSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50639837
|
Local ready
Direct docking supported
|
|
E3L064854
BDB064854
|
BDBM50639838
CN(CCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
|
C42H46F3N7O6 801.867000 |
TXXHHAICAYYMLP-SCXZZJSSSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50639838
|
Local ready
Direct docking supported
|
|
E3L064855
BDB064855
|
BDBM50639839
CN(CCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
|
C44H51F3N8O7 860.935000 |
INCVUGCZQZUSSU-XFISEFNXSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50639839
|
Local ready
Direct docking supported
|
|
E3L064856
BDB064856
|
BDBM50639840
CN(CCCO[C@H]1C[C@@H](Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
|
C45H51F3N8O7 872.946000 |
CKFOAVDINFHZIR-MOQYISRKSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50639840
|
Local ready
Direct docking supported
|
|
E3L064857
BDB064857
|
BDBM50639841
CN(CCCO[C@H]1C[C@H](Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
|
C45H51F3N8O7 872.946000 |
CKFOAVDINFHZIR-IQDGXFAKSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50639841
|
Local ready
Direct docking supported
|
|
E3L064858
BDB064858
|
BDBM50639846
CN(C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1)[C@H]1CCC2(CC1)C[C@H](Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
|
C47H53F3N8O6 882.985000 |
PRYXVIJFTJCBPJ-HBKAHHPBSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50639846
|
Local ready
Direct docking supported
|
|
E3L064859
BDB064859
|
BDBM50639852
CC(C)(O)c1cc2nc([C@H]3CC[C@H](CN4CC5(CC(CCNc6cccc7c6C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)C5)C4)CC3)sc2cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C45H48F3N7O6S 871.983000 |
WDRJGMSUTPVXDH-CWAYLNQUSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50639852
|
Local ready
Direct docking supported
|
|
E3L064860
BDB064860
|
BDBM50639853
CC(C)(O)c1cc2nc([C@H]3CC[C@H](CN4CC5(CC(CCNc6cccc7c6C(=O)N([C@@H]6CCC(=O)NC6=O)C7=O)C5)C4)CC3)sc2cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C45H48F3N7O6S 871.983000 |
WDRJGMSUTPVXDH-JWCTYCETSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50639853
|
Local ready
Direct docking supported
|