| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050841
BDB050841
|
BDBM50279234
O=C(O)c1[nH]c2cc(Cl)ccc2c1[C@H]1C(=O)NCCCCCCCCCCCCCCC(=O)N1Cc1cc(F)c(F)c(F)c1
|
C33H39ClF3N3O4 634.139000 |
UGQIEUVQPKDGJY-HKBQPEDESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50279234; PubChem:CID145952811
|
Local ready
Direct docking supported
|
|
E3L050842
BDB050842
|
BDBM50279235
COc1ccc(CN2C(=O)CCCCCCCCCCCCCNC(=O)C2c2c(C(=O)O)[nH]c3cc(Cl)ccc23)cc1
|
C33H42ClN3O5 596.168000 |
NDVRBDDWXTWGCK-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50279235; PubChem:CID145960138
|
Local ready
Direct docking supported
|
|
E3L050843
BDB050843
|
BDBM50279253
CC1CCCCCCCC(=O)N(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(c2c(C(=O)O)[nH]c3cc(Cl)ccc23)C(=O)N1
|
C35H36Cl3N3O5 685.048000 |
UFAQNLRFERYSFN-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50279253; PubChem:CID145973174
|
Local ready
Direct docking supported
|
|
E3L050844
BDB050844
|
BDBM50279254
CC(C)(C)NC(=O)[C@@H](c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccc(Cl)cc2)cc1
|
C30H29Cl2N3O5 582.484000 |
PESUUIPTWNTJKA-HHHXNRCGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50279254; PubChem:CID137350181
|
Local ready
Direct docking supported
|
|
E3L050845
BDB050845
|
BDBM50279271
CN[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OCCOCCOCCNC(=O)C3CCN(c4ncc(C(=O)Nc5ccc(OC(F)(F)Cl)cc5)cc4-c4ccn[nH]4)C3)c2)cs1)C1CCCCC1
|
C54H65ClF2N10O9S 1103.691000 |
FYLZMKXSUQIMJR-GONJBJSBSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50279271
|
Local ready
Direct docking supported
|
|
E3L050846
BDB050846
|
Sniper(abl)-62
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OCCOCCOCCNC(=O)C3CCN(c4ncc(C(=O)Nc5ccc(OC(F)(F)Cl)cc5)cc4-c4ccn[nH]4)C3)c2)cs1)C1CCCCC1
|
C53H63ClF2N10O9S 1089.664000 |
ZFKMAJWPPZNUKT-DVTWHOCZSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50279273; PubChem:CID138377594
|
Local ready
Direct docking supported
|
|
E3L050847
BDB050847
|
BDBM50279274
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OCCOCCOCCNC(=O)c3cccc(-c4cc(Nc5ccc(OC(F)(F)F)cc5)ncn4)c3)c2)cs1)C1CCCCC1
|
C50H57F3N8O8S 987.115000 |
SKOACKXMXIKVRJ-PMCMZQRJSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50279274
|
Local ready
Direct docking supported
|
|
E3L050848
BDB050848
|
BDBM50279761
CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(N)=O
|
C42H64N6O8 781.008000 |
JXZJQCOOEKBBSR-XRSSCVGRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50279761
|
Local ready
Direct docking supported
|
|
E3L050849
BDB050849
|
Ipidacrine
Nc1c2c(nc3c1CCC3)CCCC2
|
C12H16N2 188.274000 |
YLUSMKAJIQOXPV-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50279987; PubChem:CID604519
|
Local ready
Direct docking supported
|
|
E3L050850
BDB050850
|
BDBM50280219
CO[C@@H](CC(C)C)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)c1ccccc1
|
C37H51N3O6S2 697.964000 |
PJOKPPQHGIDJQG-WVRPNUIFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50280219; PubChem:CID44279815
|
Local ready
Direct docking supported
|
|
E3L050851
BDB050851
|
BDBM50280220
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1S(C)(=O)=O
|
C31H45N3O6S2 619.850000 |
MSVMHEJWZBLOTR-VVYSMVTKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280220
|
Local ready
Direct docking supported
|
|
E3L050852
BDB050852
|
BDBM50280221
CCCC[C@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H54N2O6S 606.870000 |
VUPHLEZDJPQNQD-KHMBHJAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280221
|
Local ready
Direct docking supported
|
|
E3L050853
BDB050853
|
BDBM50280222
C=CS(=O)(=O)[C@H]1[C@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@H]1c1ccccc1
|
C32H45N3O6S2 631.861000 |
KEWMJRASXLMQFQ-RKXBVFTFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280222
|
Local ready
Direct docking supported
|
|
E3L050854
BDB050854
|
BDBM50280223
C=CS(=O)(=O)[C@@H]1[C@@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@@H]1c1ccccc1
|
C32H45N3O6S2 631.861000 |
KEWMJRASXLMQFQ-YCYHDMSUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280223
|
Local ready
Direct docking supported
|
|
E3L050855
BDB050855
|
BDBM50280224
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(C)(=O)=O
|
C31H45N3O6S2 619.850000 |
MSVMHEJWZBLOTR-GAHBCJTISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280224
|
Local ready
Direct docking supported
|
|
E3L050856
BDB050856
|
BDBM50280225
CC(C)C[C@H](NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H54N2O6S 606.870000 |
DTIIDFAAHDQNEL-XFSWMMSRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280225
|
Local ready
Direct docking supported
|
|
E3L050857
BDB050857
|
BDBM50280226
COCOCCS(=O)(=O)[C@@H]1[C@@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@@H]1c1ccccc1
|
C34H51N3O8S2 693.929000 |
RTSVASATXQMPJW-KBPCXSCVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280226
|
Local ready
Direct docking supported
|
|
E3L050858
BDB050858
|
BDBM50280227
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@H](CC(=O)N2CCOCC2)[C@@H]1c1ccccc1
|
C36H52N4O6S 668.901000 |
JQXCJBYPGPYAFB-OBAIRVADSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280227
|
Local ready
Direct docking supported
|
|
E3L050859
BDB050859
|
BDBM50280228
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)C(C)C
|
C33H49N3O6S2 647.904000 |
WNYWISGOSVOZAW-XFSWMMSRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280228
|
Local ready
Direct docking supported
|
|
E3L050860
BDB050860
|
BDBM50280229
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)C(C)C
|
C33H49N3O6S2 647.904000 |
WNYWISGOSVOZAW-KHMBHJAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280229
|
Local ready
Direct docking supported
|