| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056821
BDB056821
|
BDBM50451339
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC(CNC)OC)C2)c1
|
C31H44FN3O5 557.707000 |
IOEGGUGMGOZOGM-BNDRHBIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451339; PubChem:CID68785998
|
Local ready
Direct docking supported
|
|
E3L056822
BDB056822
|
BDBM50451340
CCc1cccc(-c2c(Cl)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](N)C3)C2)c1
|
C31H42ClN3O4 556.147000 |
HYCHTMCKIYZFGG-RLWNMZDESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451340; PubChem:CID68411962
|
Local ready
Direct docking supported
|
|
E3L056823
BDB056823
|
BDBM50451341
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCC3CCNCC3)C2)c1
|
C33H46FN3O4 567.746000 |
AZQCZYDYIDSRQS-KOBZZRQBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451341; PubChem:CID145974481
|
Local ready
Direct docking supported
|
|
E3L056824
BDB056824
|
BDBM50451342
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCC3CCCCN3)C2)c1
|
C33H46FN3O4 567.746000 |
NFXUINDPWWKXJW-NSAGKLRKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451342; PubChem:CID145971817
|
Local ready
Direct docking supported
|
|
E3L056825
BDB056825
|
BDBM50451345
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC[C@H](N)C(=O)OCc3ccccc3)C2)c1
|
C37H46FN3O6 647.788000 |
COOPGZYSULILTI-QQAOMCSCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451345; PubChem:CID59620483
|
Local ready
Direct docking supported
|
|
E3L056826
BDB056826
|
BDBM50451346
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC[C@H](N)C(N)=O)C2)c1
|
C30H41FN4O5 556.679000 |
DGMVMBUZPVRBPR-LLNJOTLQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451346; PubChem:CID145967571
|
Local ready
Direct docking supported
|
|
E3L056827
BDB056827
|
BDBM50451347
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)C3CCCNC3)C2)c1
|
C31H42FN3O4 539.692000 |
XMMRKWFEVZUVSO-JXZUBROBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451347; PubChem:CID145966340
|
Local ready
Direct docking supported
|
|
E3L056828
BDB056828
|
BDBM50451348
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)C3CCCCN3)C2)c1
|
C31H42FN3O4 539.692000 |
NNNYDXFUCSKCOO-ABSJTJJKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451348; PubChem:CID145971784
|
Local ready
Direct docking supported
|
|
E3L056829
BDB056829
|
BDBM50451349
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC3CCCN3)C2)c1
|
C31H42FN3O4 539.692000 |
FIZCATAPDULJQC-BNDRHBIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451349; PubChem:CID145975681
|
Local ready
Direct docking supported
|
|
E3L056830
BDB056830
|
BDBM50452128
CN(Cc1ccccc1OCCC[C@@H]1C[C@H]1C(=O)O)C(=O)c1ccc(-c2ccco2)cc1
|
C26H27NO5 433.504000 |
SCHIHSWLJKKKDG-IFMALSPDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50452128; PubChem:CID121277097
|
Local ready
Direct docking supported
|
|
E3L056831
BDB056831
|
BDBM50452129
C[C@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CC(=O)O
|
C26H29NO5 435.520000 |
NOHPKKZHDRVOAF-LJQANCHMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50452129; PubChem:CID145975435
|
Local ready
Direct docking supported
|
|
E3L056832
BDB056832
|
BDBM50452131
C[C@@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CC(=O)O
|
C26H29NO5 435.520000 |
NOHPKKZHDRVOAF-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50452131; PubChem:CID145964745
|
Local ready
Direct docking supported
|
|
E3L056833
BDB056833
|
4-[(2-Fluorophenyl)methoxy]benzamide
NC(=O)c1ccc(OCc2ccccc2F)cc1
|
C14H12FNO2 245.253000 |
ARHAVVDXPGTLBI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50452662; PubChem:CID8607850
|
Local ready
Direct docking supported
|
|
E3L056834
BDB056834
|
BDBM50452743
O=C(O)c1ccc(NC2=C/C(=N/S(=O)(=O)c3ccc4ccccc4c3)c3ccccc3C2=O)cc1
|
C27H18N2O5S 482.517000 |
BOUGCFLCXZGDOC-OLFWJLLRSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50452743; PubChem:CID5450091
|
Local ready
Direct docking supported
|
|
E3L056835
BDB056835
|
BDBM50453435
COC(=O)Cc1ccc(OCc2oc(-c3ccccc3OC)nc2C)cc1
|
C21H21NO5 367.401000 |
GWVLKHYLZIYXAO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50453435; PubChem:CID145964530
|
Local ready
Direct docking supported
|
|
E3L056836
BDB056836
|
BDBM50453439
COC(=O)Cc1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1
|
C21H21NO5 367.401000 |
GFUKCIXVOZBJQK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50453439; PubChem:CID145965425
|
Local ready
Direct docking supported
|
|
E3L056837
BDB056837
|
BDBM50453441
COC(=O)c1cccc(OCc2oc(-c3ccccc3OC)nc2C)c1
|
C20H19NO5 353.374000 |
BCWHVDGZTARFIJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50453441; PubChem:CID145977976
|
Local ready
Direct docking supported
|
|
E3L056838
BDB056838
|
BDBM50453447
COC(=O)c1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1
|
C20H19NO5 353.374000 |
SYFIGKNOBXITNY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50453447; PubChem:CID145964597
|
Local ready
Direct docking supported
|
|
E3L056839
BDB056839
|
BDBM50453692
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(N)=O
|
C82H124N20O26 1806.008000 |
NVPVXDOFGLHSMB-RZDGSAQYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50453692; PubChem:CID145972753
|
Local ready
Direct docking supported
|
|
E3L056840
BDB056840
|
BDBM50453693
CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
|
C81H122BrN23O26 1913.906000 |
FZJFCJHYPSPOJM-NAKXUMLQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50453693; PubChem:CID145974418
|
Local ready
Direct docking supported
|