| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043781
BDB043781
|
BDBM50012952
CC(C)OC(=O)C(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
|
C38H45N5O7 683.806000 |
XYGPJCYTYWXAFA-BNCKCNCLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012952; PubChem:CID44324715
|
Local ready
Direct docking supported
|
|
E3L043782
BDB043782
|
Glibenclamide
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
|
C23H28ClN3O5S 494.013000 |
ZNNLBTZKUZBEKO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50012957; PubChem:CID3488
|
Local ready
Direct docking supported
|
|
E3L043783
BDB043783
|
BDBM50013725
CCn1c(CCCc2ccc(-c3ccc(NS(=O)(=O)c4ccc(-c5ccc(OC)cc5)cc4)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O
|
C43H46N4O4S 714.932000 |
LRJPHECSAGPJKE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50013725; PubChem:CID90656430
|
Local ready
Direct docking supported
|
|
E3L043784
BDB043784
|
BDBM50013726
CCn1c(CCCc2ccc(-c3ccc(NS(=O)(=O)c4ccccc4)cn3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O
|
C35H39N5O3S 609.796000 |
IRSFLNXJVJKMDT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50013726; PubChem:CID71721539
|
Local ready
Direct docking supported
|
|
E3L043785
BDB043785
|
GW 409544
C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
|
C31H30N2O5 510.590000 |
GGUVRMBIEPYOKL-WMVCGJOFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50013727; PubChem:CID446642
|
Local ready
Direct docking supported
|
|
E3L043786
BDB043786
|
C35H36F3N3O5
CCOC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)N/C(C)=C\C(=O)c1ccc(C(F)(F)F)cc1
|
C35H36F3N3O5 635.683000 |
UEPVEQWUZJXOKB-DYQICHDWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50013728; PubChem:CID11954219
|
Local ready
Direct docking supported
|
|
E3L043787
BDB043787
|
BDBM50013729
CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O
|
C34H42N4O5S 618.800000 |
AIRBVWFEAYREHQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50013729; PubChem:CID90656431
|
Local ready
Direct docking supported
|
|
E3L043788
BDB043788
|
BDBM50014032
CC[C@@H](C)CNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)COc1ccccc1)C(C)C
|
C29H47N3O7 549.709000 |
SPCYENRBXNWACH-FOSRWPIOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014032; PubChem:CID44276584
|
Local ready
Direct docking supported
|
|
E3L043789
BDB043789
|
BDBM50014034
CC[C@@H](C)CNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)C(C(=O)COc1ccccc1)C(O)C(=O)O)C(C)C
|
C32H50N2O8 590.758000 |
PSWWSKOMFPZUDY-BJWYQQHASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014034; PubChem:CID44276585
|
Local ready
Direct docking supported
|
|
E3L043790
BDB043790
|
BDBM50014038
CC[C@@H](C)CNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)C(C(=O)Cc1ccccc1)C(O)C(=O)O)C(C)C
|
C29H46N2O7 534.694000 |
SJQDGCJFSZEKAG-ARLUFAQCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014038; PubChem:CID44276634
|
Local ready
Direct docking supported
|
|
E3L043791
BDB043791
|
BDBM50014042
CC[C@@H](C)CNC(=O)[C@@H](NC(O)[C@@H](CC(=O)[C@H](CC(=O)O)NC(=O)COc1ccccc1)CC1CCCCC1)C(C)C
|
C32H51N3O7 589.774000 |
HUEINWAWGMRRDW-PBFGUIINSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014042; PubChem:CID44276669
|
Local ready
Direct docking supported
|
|
E3L043792
BDB043792
|
BDBM50014045
CCON1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O
|
C34H50N6O8 670.808000 |
SUCOFPWLDIYJOW-MYHRABSESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014045
|
Local ready
Direct docking supported
|
|
E3L043793
BDB043793
|
BDBM50014046
CC(C)CN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O
|
C36H54N6O7 682.863000 |
AGHNZOVXHIKXMW-STVCLKQXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014046
|
Local ready
Direct docking supported
|
|
E3L043794
BDB043794
|
BDBM50014047
C[C@@H]1CO[C@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1
|
C34H51N5O6 625.811000 |
KTWUOCBXSLEVFU-RDUBVWNMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014047
|
Local ready
Direct docking supported
|
|
E3L043795
BDB043795
|
BDBM50014048
C=C1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O
|
C34H47N5O7 637.778000 |
SOWSWTQQDMLKKN-MYHRABSESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014048
|
Local ready
Direct docking supported
|
|
E3L043796
BDB043796
|
BDBM50014049
C[C@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O
|
C34H49N5O7 639.794000 |
MPTRCGHNRHDVNS-SFNIVYHDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014049
|
Local ready
Direct docking supported
|
|
E3L043797
BDB043797
|
BDBM50014050
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CNC=O
|
C32H48N6O7 628.771000 |
SRXTZSLIJDIGDB-OBBCHVIHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014050; PubChem:CID14654567
|
Local ready
Direct docking supported
|
|
E3L043798
BDB043798
|
BDBM50014051
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NC1=O
|
C34H51N7O6 653.825000 |
PHSCYXHYNYENOQ-MYHRABSESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014051
|
Local ready
Direct docking supported
|
|
E3L043799
BDB043799
|
BDBM50014052
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CN=[N+]=[N-]
|
C31H46N8O6 626.759000 |
GEXRPFUOLASCKI-JSLVBRCRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014052; PubChem:CID14478735
|
Local ready
Direct docking supported
|
|
E3L043800
BDB043800
|
BDBM50014053
CC(C)N1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O
|
C35H52N6O7 668.836000 |
NJSUPVWOUYNHMT-VFFRCKCKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014053
|
Local ready
Direct docking supported
|