| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047221
BDB047221
|
BDBM50165749
CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccccc2C)CC1
|
C35H37F6N3O4 677.686000 |
KYOBOSZJOKMKJJ-NDKRRWIDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50165749; PubChem:CID127047771
|
Local ready
Direct docking supported
|
|
E3L047222
BDB047222
|
BDBM50165796
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3c(c2)NCCC3)cc1
|
C31H37N3O5 531.653000 |
JXFXZCANEQOOHW-SANMLTNESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50165796; PubChem:CID11840980
|
Local ready
Direct docking supported
|
|
E3L047223
BDB047223
|
BDBM50165797
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3cccnc3c2)cc1
|
C31H33N3O5 527.621000 |
YWLRBYKZWBQMBB-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50165797; PubChem:CID44401869
|
Local ready
Direct docking supported
|
|
E3L047224
BDB047224
|
BDBM50165798
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3ccccc3c2)cc1
|
C32H34N2O5 526.633000 |
YNZFVUGNLOWSTD-NDEPHWFRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50165798; PubChem:CID44402259
|
Local ready
Direct docking supported
|
|
E3L047225
BDB047225
|
BDBM50165799
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)NCCC3)cc1
|
C31H37N3O5 531.653000 |
JXFXZCANEQOOHW-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50165799; PubChem:CID44401946
|
Local ready
Direct docking supported
|
|
E3L047226
BDB047226
|
BDBM50165800
COCCCN1C(=O)CCc2ccc(OC[C@@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
|
C35H43N3O7 617.743000 |
HSXYVWHEMSHBBB-LJAQVGFWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50165800; PubChem:CID11456311
|
Local ready
Direct docking supported
|
|
E3L047227
BDB047227
|
BDBM50165801
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3cccnc3c2)cc1
|
C31H33N3O5 527.621000 |
YWLRBYKZWBQMBB-SANMLTNESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50165801; PubChem:CID44401993
|
Local ready
Direct docking supported
|
|
E3L047228
BDB047228
|
BDBM50165802
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3c(c2)N(CCO)CCC3)cc1
|
C33H41N3O6 575.706000 |
QJCBDDQZSODRSU-NDEPHWFRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50165802; PubChem:CID44401947
|
Local ready
Direct docking supported
|
|
E3L047229
BDB047229
|
BDBM50165803
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCO)CCC3)cc1
|
C33H41N3O6 575.706000 |
QJCBDDQZSODRSU-MUUNZHRXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50165803; PubChem:CID44401948
|
Local ready
Direct docking supported
|
|
E3L047230
BDB047230
|
BDBM50165804
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3c(c2)N(CCCO)CCC3)cc1
|
C34H43N3O6 589.733000 |
HEFYJBZEIVFECQ-LJAQVGFWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50165804; PubChem:CID44401949
|
Local ready
Direct docking supported
|
|
E3L047231
BDB047231
|
BDBM50165830
CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Cc2ccc(C)cc2)CC1
|
C36H39F6N3O3 675.714000 |
UGOBSNLODIDGBX-FJQKOURKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50165830; PubChem:CID127047770
|
Local ready
Direct docking supported
|
|
E3L047232
BDB047232
|
BDBM50165834
CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Sc2ccc(C)cc2)CC1
|
C35H37F6N3O3S 693.754000 |
BUVLLJAEOMKZLG-NDKRRWIDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50165834; PubChem:CID127047769
|
Local ready
Direct docking supported
|
|
E3L047233
BDB047233
|
BDBM50165838
CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C)cc2)CC1
|
C35H37F6N3O4 677.686000 |
PQEOGJSRIWMBAU-NDKRRWIDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50165838; PubChem:CID127046266
|
Local ready
Direct docking supported
|
|
E3L047234
BDB047234
|
BDBM50165844
CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
|
C35H37F6N3O3 661.687000 |
RLLFEXUOBKPSTJ-NDKRRWIDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50165844; PubChem:CID127046910
|
Local ready
Direct docking supported
|
|
E3L047235
BDB047235
|
BDBM50165845
CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Sc2ccccc2)CC1
|
C34H35F6N3O3S 679.727000 |
TYHYQFBEKDBSDL-PPTMTGTBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50165845; PubChem:CID127046265
|
Local ready
Direct docking supported
|
|
E3L047236
BDB047236
|
BDBM50165846
CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccccc2)CC1
|
C34H35F6N3O4 663.659000 |
WHGIMNLNVQCFKE-PPTMTGTBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50165846; PubChem:CID127046058
|
Local ready
Direct docking supported
|
|
E3L047237
BDB047237
|
BDBM50166291
CN(CCOc1ccc(Cc2sc(=O)n(C)c2O)cc1)c1ccccn1
|
C19H21N3O3S 371.462000 |
PMDAMLBOJSLKAV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166291; PubChem:CID91936756
|
Local ready
Direct docking supported
|
|
E3L047238
BDB047238
|
BDBM50166292
COc1ccc(-n2c(C)c(Cc3cccc(O[C@@H](C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc32)cc1
|
C27H24F3NO5 499.485000 |
WASROFIOUZGJFW-KRWDZBQOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166292; PubChem:CID44399778
|
Local ready
Direct docking supported
|
|
E3L047239
BDB047239
|
BDBM50166293
Cc1c(Oc2cccc(O[C@@H](C)C(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc12
|
C26H18ClF3N2O6 546.885000 |
VGORCQXXKHIAFG-AWEZNQCLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166293; PubChem:CID10437965
|
Local ready
Direct docking supported
|
|
E3L047240
BDB047240
|
BDBM50166294
Cc1c(Oc2cc(Cl)cc(O[C@@H](C)C(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc12
|
C26H17Cl2F3N2O6 581.330000 |
CYYCGMVJHHNAFY-ZDUSSCGKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166294; PubChem:CID10257647
|
Local ready
Direct docking supported
|