| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011661
BDB011661
|
BDBM239135
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@H]1C[C@H](C(C)C)CO1
|
C23H34N4O4 430.549000 |
FORDFNXCOFGSRG-FUHWJXTLSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM239135; PubChem:CID118511104
|
Local ready
Direct docking supported
|
|
E3L011662
BDB011662
|
BDBM239136
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1C[C@@H](C(C)C)CO1
|
C23H34N4O4 430.549000 |
FORDFNXCOFGSRG-AEFFLSMTSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM239136; PubChem:CID118511073
|
Local ready
Direct docking supported
|
|
E3L011663
BDB011663
|
BDBM239137
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1OC[C@H](C(C)(C)C)O1
|
C23H34N4O5 446.548000 |
XDTHTVWRJCHZCK-OPAMFIHVSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM239137; PubChem:CID118511148
|
Local ready
Direct docking supported
|
|
E3L011664
BDB011664
|
BDBM239138
Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1OC[C@@H](C(C)(C)C)O1
|
C23H34N4O5 446.548000 |
XDTHTVWRJCHZCK-KSFYIVLOSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM239138; PubChem:CID118511078
|
Local ready
Direct docking supported
|
|
E3L011665
BDB011665
|
BDBM239257
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C32H31FN4O3 538.623000 |
CMJNJLAZFRPIHF-IDISGSTGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM239257; PubChem:CID118077265
|
Local ready
Direct docking supported
|
|
E3L011666
BDB011666
|
BDBM239258
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccccc2)c2ccccc2N(Cc2cccc3ccccc23)C1=O
|
C32H32N4O3 520.633000 |
BVWILJUJLQSYCT-CUNXSJBXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM239258; PubChem:CID118076972
|
Local ready
Direct docking supported
|
|
E3L011667
BDB011667
|
BDBM239313
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(N)c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C32H33N5O3 535.648000 |
VQGSSRFNAZBYOL-IDISGSTGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM239313; PubChem:CID118077394
|
Local ready
Direct docking supported
|
|
E3L011668
BDB011668
|
BDBM239390
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(OC)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C33H34N4O4 550.659000 |
AVQYOVIAYBZGCX-DWACAAAGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM239390; PubChem:CID118076629
|
Local ready
Direct docking supported
|
|
E3L011669
BDB011669
|
BDBM239419
CN[C@@H](C)C(=O)N[C@H]1CN(CCc2ccccc2)c2ccccc2N(Cc2cccc3ccccc23)C1=O
|
C32H34N4O2 506.650000 |
VLOSAUPRZMBEGJ-FIPFOOKPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM239419; PubChem:CID118076678
|
Local ready
Direct docking supported
|
|
E3L011670
BDB011670
|
BDBM239445
CN[C@@H](C)C(=O)N[C@H]1CN(S(=O)(=O)NC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C26H31N5O4S 509.632000 |
UQLXBECWUIVNNI-AVRDEDQJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM239445; PubChem:CID118077090
|
Local ready
Direct docking supported
|
|
E3L011671
BDB011671
|
BDBM239516
CN[C@@H](C)C(=O)N[C@H]1CN(S(=O)(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C33H34N4O5S 598.725000 |
OYOCBORPXQCJHB-ZTOMLWHTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM239516; PubChem:CID118077055
|
Local ready
Direct docking supported
|
|
E3L011672
BDB011672
|
BDBM239963
CC(=O)N1CCC2(CCC(Nc3nc(Nc4cnn(C)c4)ncc3Cl)CC2)CC1
|
C20H28ClN7O 417.945000 |
ZXAFLEVWBXJCQF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM239963; PubChem:CID91933919
|
Local ready
Direct docking supported
|
|
E3L011673
BDB011673
|
BDBM239966
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(C)(=O)=O)CC4C3)n2)cn1
|
C16H22ClN7O2S 411.919000 |
YTRICIMLLKPESG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM239966; PubChem:CID118390044
|
Local ready
Direct docking supported
|
|
E3L011674
BDB011674
|
BDBM240239
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C31H31N5O3 521.621000 |
WZIJQOUXQZOANR-LVXARBLLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM240239
|
Local ready
Direct docking supported
|
|
E3L011675
BDB011675
|
BDBM240704
NCCOc1c(-c2ccc(Br)cc2)[nH]c(=O)c2cc(F)ccc12
|
C17H14BrFN2O2 377.213000 |
IZPURWNXWPTMHH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240704; PubChem:CID71565469
|
Local ready
Direct docking supported
|
|
E3L011676
BDB011676
|
BDBM240705
NCCOc1c(-c2cccc(C(F)(F)F)c2)[nH]c(=O)c2cc(F)ccc12
|
C18H14F4N2O2 366.314000 |
XIAODRJBQHVZIE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240705; PubChem:CID71576416
|
Local ready
Direct docking supported
|
|
E3L011677
BDB011677
|
BDBM240706
NCCOc1c(-c2ccc(N3CCOCC3)cc2)[nH]c(=O)c2cc(F)ccc12
|
C21H22FN3O3 383.423000 |
KSTGCHRYORWWOO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240706; PubChem:CID71576455
|
Local ready
Direct docking supported
|
|
E3L011678
BDB011678
|
BDBM240707
NCCOc1c(-c2ccc(N3CCOCC3)c(Br)c2)[nH]c(=O)c2cc(F)ccc12
|
C21H21BrFN3O3 462.319000 |
POAFYPSDLXGQBX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240707; PubChem:CID71576456
|
Local ready
Direct docking supported
|
|
E3L011679
BDB011679
|
BDBM240708
NCCOc1c(-c2cccc(Br)c2)[nH]c(=O)c2cc(F)ccc12
|
C17H14BrFN2O2 377.213000 |
DOKFTMCJGVGNMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240708; PubChem:CID71576457
|
Local ready
Direct docking supported
|
|
E3L011680
BDB011680
|
BDBM240709
N#Cc1ccc(-c2[nH]c(=O)c3cc(F)ccc3c2OCCN)cc1
|
C18H14FN3O2 323.327000 |
VUECMVWDRZENTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM240709; PubChem:CID71576458
|
Local ready
Direct docking supported
|