| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054961
BDB054961
|
BDBM50392545
CC(C)C1=C(C(=O)N2CCN(C)CC2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C26H28Cl2N4OS 515.510000 |
DTVJIGRFFPECGQ-JTHBVZDNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392545; PubChem:CID71453054
|
Local ready
Direct docking supported
|
|
E3L054962
BDB054962
|
BDBM50392546
CC(C)C1=C(C(=O)N2C[C@@H](C)N[C@@H](C)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C27H30Cl2N4OS 529.537000 |
ISDUIMHLTMDUCG-FYSHCQJKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392546; PubChem:CID71451237
|
Local ready
Direct docking supported
|
|
E3L054963
BDB054963
|
BDBM50392671
CCOc1ccc2nc(SC(C)C(=O)NS(C)(=O)=O)sc2c1
|
C13H16N2O4S3 360.482000 |
JFVSEGVRRFTMCD-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392671; PubChem:CID71456672
|
Local ready
Direct docking supported
|
|
E3L054964
BDB054964
|
BDBM50392672
CC(C)(Oc1ccc(Cl)cc1)C(=O)NS(C)(=O)=O
|
C11H14ClNO4S 291.756000 |
PKBSISADKJRKHT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392672; PubChem:CID71458513
|
Local ready
Direct docking supported
|
|
E3L054965
BDB054965
|
BDBM50392673
Cc1ccc(C)c(OCCCC(C)(C)C(=O)NS(C)(=O)=O)c1
|
C16H25NO4S 327.446000 |
LIAFARAOHZXVAW-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392673; PubChem:CID71451340
|
Local ready
Direct docking supported
|
|
E3L054966
BDB054966
|
BDBM50392674
CCCC(Sc1nc2ccc(OCC)cc2s1)C(=O)NS(C)(=O)=O
|
C15H20N2O4S3 388.536000 |
WVBNWMVLFVQWGO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392674; PubChem:CID71453153
|
Local ready
Direct docking supported
|
|
E3L054967
BDB054967
|
BDBM50392675
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O
|
C13H15ClN2O3S3 378.928000 |
PSOLULMELWKRFF-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392675; PubChem:CID71460357
|
Local ready
Direct docking supported
|
|
E3L054968
BDB054968
|
BDBM50392676
CC(C)C(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O
|
C13H15ClN2O3S3 378.928000 |
YKKXAJDQMUZDKP-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392676; PubChem:CID71453154
|
Local ready
Direct docking supported
|
|
E3L054969
BDB054969
|
BDBM50392677
CCCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O
|
C14H17ClN2O3S3 392.955000 |
MWWZXPUSIUYFHL-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392677; PubChem:CID71451339
|
Local ready
Direct docking supported
|
|
E3L054970
BDB054970
|
BDBM50392678
CCCCCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O
|
C16H21ClN2O3S3 421.009000 |
HOLDBPMXIXHGBE-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392678; PubChem:CID71458512
|
Local ready
Direct docking supported
|
|
E3L054971
BDB054971
|
BDBM50392679
CS(=O)(=O)NC(=O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1
|
C16H13ClN2O3S3 412.945000 |
NSPVFFZZDPHABN-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392679; PubChem:CID71456673
|
Local ready
Direct docking supported
|
|
E3L054972
BDB054972
|
BDBM50392680
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(C)(=O)=O
|
C20H23ClN2O5S 438.933000 |
VKJKZTOFMLIMTB-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50392680; PubChem:CID71458514
|
Local ready
Direct docking supported
|
|
E3L054973
BDB054973
|
3-Benzamido-5-phenyl-1,2,4-triazole
O=C(Nc1nnc(-c2ccccc2)[nH]1)c1ccccc1
|
C15H12N4O 264.288000 |
ZNIQLYYOYYLSEW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50392816; PubChem:CID570244
|
Local ready
Direct docking supported
|
|
E3L054974
BDB054974
|
BDBM50392953
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NC1C2CC3CC1CC(O)(C3)C2
|
C30H45ClN4O4 561.167000 |
MGQQKSSUXHKDSK-DLUCIBEJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50392953; PubChem:CID53232612
|
Local ready
Direct docking supported
|
|
E3L054975
BDB054975
|
BDBM50392982
COC(=O)c1c(Cc2ccc(C(=O)NCCO)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
|
C27H23ClN2O5 490.943000 |
STNCBMGTCZRJPA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50392982; PubChem:CID25104303
|
Local ready
Direct docking supported
|
|
E3L054976
BDB054976
|
Xevinapant
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C32H43N5O4 561.727000 |
LSXUTRRVVSPWDZ-MKKUMYSQSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50393505; PubChem:CID25022340
|
Local ready
Direct docking supported
|
|
E3L054977
BDB054977
|
BDBM50393506
CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C40H48N6O4 676.862000 |
IUJKXMIDCSUDHI-NNHILTQISA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50393506
|
Local ready
Direct docking supported
|
|
E3L054978
BDB054978
|
BDBM50393507
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn3)N2C1=O
|
C54H86N12O7S 1047.426000 |
AJAUCOAEKFAWHL-IMSPMDEVSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50393507
|
Local ready
Direct docking supported
|
|
E3L054979
BDB054979
|
BDBM50393508
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCCCCCNC(=O)c4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)nn3)N2C1=O
|
C59H71N9O10 1066.270000 |
NAOHXUOBXHDSFA-KOYPEAILSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50393508
|
Local ready
Direct docking supported
|
|
E3L054980
BDB054980
|
BDBM50393630
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCCCn4cc([C@@H](NC(=O)[C@@H]5CC[C@@H]6CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N65)c5ccccc5)nn4)nn3)N2C1=O
|
C56H80N14O6 1045.348000 |
OYFPDRMHCIQNHZ-QHNAYFJPSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50393630
|
Local ready
Direct docking supported
|