| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044801
BDB044801
|
BDBM50041083
C[C@]1(O)C[C@@H](NC(=O)[C@@H]2NC3(CCC3)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1
|
C26H26Cl2FN3O3 518.416000 |
FKMCIDBWGHYKHJ-WASNFIJWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041083
|
Local ready
Direct docking supported
|
|
E3L044802
BDB044802
|
BDBM50041084
C[C@]1(O)C[C@@H](NC(=O)[C@@H]2NC3(CCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1
|
C26H26Cl2FN3O3 518.416000 |
FKMCIDBWGHYKHJ-YHULKKRBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041084
|
Local ready
Direct docking supported
|
|
E3L044803
BDB044803
|
BDBM50041085
C[C@]1(O)C[C@@H](NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1
|
C28H30Cl2FN3O3 546.470000 |
CQRICESTNDBKIY-KUGUZAOFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50041085
|
Local ready
Direct docking supported
|
|
E3L044804
BDB044804
|
BDBM50041086
O=C(O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)cc1
|
C30H26Cl2FN3O4 582.459000 |
BIDSEXPFIMKDMF-LOLKONATSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50041086; PubChem:CID70677271
|
Local ready
Direct docking supported
|
|
E3L044805
BDB044805
|
BDBM50042812
CC(C)CC(NC(=O)CC(O)C(CC1CCCCC1)NC(=O)CCC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN)c1
|
C42H65N5O7 752.010000 |
VRJLGQJDRSVEKS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50042812
|
Local ready
Direct docking supported
|
|
E3L044806
BDB044806
|
BDBM50042813
CCC(C)CNC(=O)CC(O)C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C45H61N5O4S 768.081000 |
FSGCSGPTSJSHHI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042813; PubChem:CID14861426
|
Local ready
Direct docking supported
|
|
E3L044807
BDB044807
|
BDBM50042814
CON(C)C(=O)CC(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C40H47N5O5 677.846000 |
UWBGLUNBUMFOSR-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042814; PubChem:CID44349967
|
Local ready
Direct docking supported
|
|
E3L044808
BDB044808
|
BDBM50042815
CC(C)CC(O)C(O)C(CC1CCCCC1)NC(=O)C(Cc1csc(N)n1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C33H52N6O7S2 708.948000 |
QGJKHQRFJGLJLV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042815; PubChem:CID23277665
|
Local ready
Direct docking supported
|
|
E3L044809
BDB044809
|
BDBM50042816
Nc1nc(CC(NC(=O)C(Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)NC(CC2CCCCC2)C(O)CC(CO)Cc2ccccc2)cs1
|
C38H54N6O7S2 771.019000 |
JPAQNCCOLRKBFJ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50042816
|
Local ready
Direct docking supported
|
|
E3L044810
BDB044810
|
BDBM50042817
Cc1ccc(NC(=O)Cc2ccccc2)cc1C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C
|
C30H42N2O4 494.676000 |
UXPMCXMNVABQGS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042817; PubChem:CID44349517
|
Local ready
Direct docking supported
|
|
E3L044811
BDB044811
|
BDBM50042818
CCC(CO)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1csc(N)n1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C33H52N6O7S2 708.948000 |
IELWABZUYBHLIH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042818; PubChem:CID44349858
|
Local ready
Direct docking supported
|
|
E3L044812
BDB044812
|
BDBM50042819
COC(=O)C(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C
|
C31H50N4O9S 654.827000 |
IEWAGORIVPFRDB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042819; PubChem:CID14861680
|
Local ready
Direct docking supported
|
|
E3L044813
BDB044813
|
BDBM50042821
Cc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)N2CCOCC2)cc1C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C
|
C35H52N4O7S 672.889000 |
UEHGTCRCHJEZIN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042821; PubChem:CID44349856
|
Local ready
Direct docking supported
|
|
E3L044814
BDB044814
|
BDBM50042822
CNC(=S)NCCCCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)C(O)CC(=O)N(C)OC
|
C42H55N5O5S 741.999000 |
LCCDMIBJLDPSSR-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042822; PubChem:CID14861476
|
Local ready
Direct docking supported
|
|
E3L044815
BDB044815
|
BDBM50042823
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C
|
C32H57N7O6S2 699.985000 |
GBPRCFWBWHGSJH-BLVAWXTGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042823; PubChem:CID15018015
|
Local ready
Direct docking supported
|
|
E3L044816
BDB044816
|
PD 125967
CCC(C)CNC(=O)C(CC(C)C)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C51H67N5O4 814.128000 |
SIGGSNKWBGJQQB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042824; PubChem:CID195559
|
Local ready
Direct docking supported
|
|
E3L044817
BDB044817
|
BDBM50042825
Cc1ccc(NC(=O)CSc2ccccc2)c(C)c1C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C
|
C31H44N2O4S 540.770000 |
UDBXTHLPUNINJG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50042825; PubChem:CID44349930
|
Local ready
Direct docking supported
|
|
E3L044818
BDB044818
|
Telmisartan
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C33H30N4O2 514.629000 |
RMMXLENWKUUMAY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50043280; PubChem:CID65999
|
Local ready
Direct docking supported
|
|
E3L044819
BDB044819
|
BDBM50044231
CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)NC1CSCCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
|
C36H57N3O8S2 723.999000 |
YTDCLZOYDJEJQM-KMXRORLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50044231; PubChem:CID44305053
|
Local ready
Direct docking supported
|
|
E3L044820
BDB044820
|
BDBM50044625
C=C1CC/C=C/CC[C@@H]2[C@@H]1CC2(C)C
|
C14H22 190.330000 |
NSBBNKZXPXCEKG-IJWDBEHRSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50044625; PubChem:CID11982685
|
Local ready
Direct docking supported
|