| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047421
BDB047421
|
BDBM50173079
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(F)c(F)c2)cc1
|
C29H32F2N2O5 526.580000 |
OSVGIWNUAUKJBB-XMMPIXPASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173079; PubChem:CID44402915
|
Local ready
Direct docking supported
|
|
E3L047422
BDB047422
|
BDBM50173080
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccc(Cl)c2)cc1
|
C29H33ClN2O5 525.045000 |
KHKRFTLTBNDXGR-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173080; PubChem:CID44402901
|
Local ready
Direct docking supported
|
|
E3L047423
BDB047423
|
BDBM50173081
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccc(C(F)(F)F)c2F)cc1
|
C30H32F4N2O5 576.587000 |
SRRBYMWEYRAMOB-XMMPIXPASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173081; PubChem:CID44402904
|
Local ready
Direct docking supported
|
|
E3L047424
BDB047424
|
BDBM50173082
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(F)cc2)cc1
|
C29H33FN2O5 508.590000 |
HIEBQOVZTSFULV-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173082; PubChem:CID44402899
|
Local ready
Direct docking supported
|
|
E3L047425
BDB047425
|
BDBM50173083
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COCc2ccc(Cl)c(C(F)(F)F)c2)cc1
|
C30H32ClF3N2O5 593.042000 |
BCCRJSQTEBENFE-DEOSSOPVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173083; PubChem:CID44402918
|
Local ready
Direct docking supported
|
|
E3L047426
BDB047426
|
BDBM50173084
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(C(F)(F)F)cc2)cc1
|
C30H33F3N2O5 558.597000 |
JPNLUTWWAAJFHI-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173084; PubChem:CID44402897
|
Local ready
Direct docking supported
|
|
E3L047427
BDB047427
|
BDBM50173085
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccccc2F)cc1
|
C29H33FN2O5 508.590000 |
CSIPPRRZKJWZCV-RUZDIDTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173085; PubChem:CID44402909
|
Local ready
Direct docking supported
|
|
E3L047428
BDB047428
|
BDBM50173086
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(F)c(C)c2)cc1
|
C30H35FN2O5 522.617000 |
STZVJLMRCUIGKP-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173086; PubChem:CID44402903
|
Local ready
Direct docking supported
|
|
E3L047429
BDB047429
|
BDBM50173087
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccccn2)cc1
|
C28H33N3O5 491.588000 |
NFZBPJHVQWPRSE-RUZDIDTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173087; PubChem:CID44402916
|
Local ready
Direct docking supported
|
|
E3L047430
BDB047430
|
BDBM50173088
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COCc2cccnc2)cc1
|
C28H33N3O5 491.588000 |
WPYDZJMOARSIDS-VWLOTQADSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173088; PubChem:CID44402919
|
Local ready
Direct docking supported
|
|
E3L047431
BDB047431
|
BDBM50173089
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccccc2C(F)(F)F)cc1
|
C30H33F3N2O5 558.597000 |
BDBGRYWLAOVVDC-RUZDIDTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173089; PubChem:CID44402913
|
Local ready
Direct docking supported
|
|
E3L047432
BDB047432
|
BDBM50173341
CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(OC(F)(F)F)cc3)c3ccccc32)cc1
|
C26H22F3NO4 469.459000 |
BGRNRDBRZYUNFJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50173341; PubChem:CID44404675
|
Local ready
Direct docking supported
|
|
E3L047433
BDB047433
|
BDBM50173342
CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(O)c3)c3ccccc32)cc1
|
C25H23NO4 401.462000 |
LAEBQRJVYYFVCF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50173342; PubChem:CID44404681
|
Local ready
Direct docking supported
|
|
E3L047434
BDB047434
|
BDBM50173343
CC(C)c1cccc(Oc2c(C(=O)O)n(-c3ccc(C(C)(C)C)cc3)c3cc(Cl)ccc23)c1
|
C28H28ClNO3 461.989000 |
JHBJSRHKGJUACC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50173343; PubChem:CID44404703
|
Local ready
Direct docking supported
|
|
E3L047435
BDB047435
|
BDBM50173344
CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(Oc4cc(C(F)(F)F)c[nH]4)ccc32)cc1
|
C31H24F6N2O4 602.531000 |
NXCAPWDBSDFCJW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50173344; PubChem:CID44404728
|
Local ready
Direct docking supported
|
|
E3L047436
BDB047436
|
BDBM50173345
CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(-c4cc(C(F)(F)F)c[nH]4)cc3)c3cccnc32)cc1
|
C29H24F3N3O3 519.523000 |
BNGZAEOPLOUWIH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50173345; PubChem:CID44404735
|
Local ready
Direct docking supported
|
|
E3L047437
BDB047437
|
BDBM50173346
CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(S(C)(=O)=O)c3)c3ccc(Cl)nc32)cc1
|
C25H23ClN2O5S 498.988000 |
LXWABPJZDSGODV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50173346; PubChem:CID44404649
|
Local ready
Direct docking supported
|
|
E3L047438
BDB047438
|
BDBM50173347
CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)cc1
|
C26H21ClF3NO4 503.904000 |
AAMCSMBAZLAERM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50173347; PubChem:CID44404700
|
Local ready
Direct docking supported
|
|
E3L047439
BDB047439
|
BDBM50173348
CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c3cc(Cl)ccc32)cc1
|
C26H20Cl2F3NO3 522.350000 |
PSPFYELIQHPVPR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50173348; PubChem:CID44404714
|
Local ready
Direct docking supported
|
|
E3L047440
BDB047440
|
BDBM50173349
CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3ccc(Cl)cc32)cc1
|
C26H21ClF3NO3 487.905000 |
FOQAEWTVZXSVMU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50173349; PubChem:CID44404701
|
Local ready
Direct docking supported
|