| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053601
BDB053601
|
BDBM50350933
COCCCC[C@@](O)(c1ccccc1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H42N2O4 494.676000 |
JXBJYKLMRBZDEK-MMMNJCRCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350933; PubChem:CID56679711
|
Local ready
Direct docking supported
|
|
E3L053602
BDB053602
|
BDBM50350934
COCCCC[C@@](O)(c1ccccc1-c1ccccc1C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H42N2O4 494.676000 |
LUWKXSCMVRTWST-SZTMJRGBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350934; PubChem:CID56679710
|
Local ready
Direct docking supported
|
|
E3L053603
BDB053603
|
BDBM50350935
COCCCC[C@@](O)(c1ccccc1-c1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C29H40N2O4 480.649000 |
GBAKDRIJFSDCNN-YJFNBJRFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350935; PubChem:CID53301844
|
Local ready
Direct docking supported
|
|
E3L053604
BDB053604
|
BDBM50350936
COCCCC[C@@](O)(c1cccc(F)c1Oc1ccccc1C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H41FN2O5 528.665000 |
OSPAIGKWNREXGJ-YWHUKLHMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350936; PubChem:CID56669541
|
Local ready
Direct docking supported
|
|
E3L053605
BDB053605
|
BDBM50350937
COCCCC[C@@](O)(c1ccccc1Oc1ccccc1C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@H](O)C2)C1
|
C30H42N2O5 510.675000 |
GMQNVTWXESVKFD-KYPIXWGSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350937; PubChem:CID56659181
|
Local ready
Direct docking supported
|
|
E3L053606
BDB053606
|
BDBM50350938
COCCCC[C@@](O)(c1ccccc1Oc1ccccc1C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H42N2O5 510.675000 |
GMQNVTWXESVKFD-BHRSGGKLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350938; PubChem:CID56676373
|
Local ready
Direct docking supported
|
|
E3L053607
BDB053607
|
BDBM50350939
COCCCC[C@@](O)(c1ccccc1Oc1ccccc1C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](N)C2)C1
|
C30H42N2O4 494.676000 |
WDAYAPRIMAUUQD-ZRIOWSNCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350939; PubChem:CID56662686
|
Local ready
Direct docking supported
|
|
E3L053608
BDB053608
|
BDBM50350940
COCCCC[C@@](O)(c1ccccc1Oc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](N)C2)C1
|
C29H40N2O4 480.649000 |
MTWMQVRCFUVEQV-SEAFADMZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350940; PubChem:CID56679709
|
Local ready
Direct docking supported
|
|
E3L053609
BDB053609
|
BDBM50350941
COCCCC[C@@](O)(c1ccccc1Oc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](N)C2)C1
|
C29H40N2O4 480.649000 |
MTWMQVRCFUVEQV-XTGAJNFRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350941; PubChem:CID56662685
|
Local ready
Direct docking supported
|
|
E3L053610
BDB053610
|
BDBM50350942
COCCCC[C@@](O)(c1ccccc1Oc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](N)C2)C1
|
C29H40N2O4 480.649000 |
MTWMQVRCFUVEQV-CHCBTGSZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350942; PubChem:CID56662684
|
Local ready
Direct docking supported
|
|
E3L053611
BDB053611
|
BDBM50350943
CNCC(C)(C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Oc2ccccc2)C1
|
C29H43N3O4 497.680000 |
JJDOIAOGKJYZMD-BTYSJIOQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350943; PubChem:CID56673063
|
Local ready
Direct docking supported
|
|
E3L053612
BDB053612
|
BDBM50350944
CNC[C@H](C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Oc2ccccc2)C1
|
C28H41N3O4 483.653000 |
NZLLRNCZMLGIHF-JWZKTCGFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350944; PubChem:CID56683031
|
Local ready
Direct docking supported
|
|
E3L053613
BDB053613
|
BDBM50350945
CNC[C@H](CC(C)(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Oc2ccccc2)C1
|
C32H49N3O4 539.761000 |
HLLCDRAMRWCDFV-IWITZMJESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350945; PubChem:CID56662683
|
Local ready
Direct docking supported
|
|
E3L053614
BDB053614
|
BDBM50350946
CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Oc2ccccc2)C1
|
C31H47N3O4 525.734000 |
PFPRGZBLXHYXIU-WQQNLHNWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350946; PubChem:CID56673062
|
Local ready
Direct docking supported
|
|
E3L053615
BDB053615
|
2-[[3,5-Bis(2-phenylethoxy)phenyl]methyl]hexanoic acid
CCCCC(Cc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O
|
C29H34O4 446.587000 |
ZWRNDAOEALINEI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351417; PubChem:CID53363132
|
Local ready
Direct docking supported
|
|
E3L053616
BDB053616
|
BDBM50351418
CCCC/C(=C\c1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O
|
C29H32O4 444.571000 |
SXLWQWVYXFZFOS-LGUFXXKBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351418; PubChem:CID53363133
|
Local ready
Direct docking supported
|
|
E3L053617
BDB053617
|
2-[3,5-Bis(2-phenylethoxy)phenyl]sulfanylhexanoic acid
CCCCC(Sc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O
|
C28H32O4S 464.627000 |
YPUJBYXOCXRKCD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351419; PubChem:CID53363130
|
Local ready
Direct docking supported
|
|
E3L053618
BDB053618
|
2-[3,5-Bis(2-phenylethoxy)phenoxy]hexanoic acid
CCCCC(Oc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O
|
C28H32O5 448.559000 |
MAZHKGUMMPHZIT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351420; PubChem:CID53363131
|
Local ready
Direct docking supported
|
|
E3L053619
BDB053619
|
2-[[2,3-Bis(2-phenylethoxy)phenyl]methyl]hexanoic acid
CCCCC(Cc1cccc(OCCc2ccccc2)c1OCCc1ccccc1)C(=O)O
|
C29H34O4 446.587000 |
YDHGSYFSHRPUIJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351421; PubChem:CID53363134
|
Local ready
Direct docking supported
|
|
E3L053620
BDB053620
|
2-[[3,4-Bis(2-phenylethoxy)phenyl]methyl]hexanoic acid
CCCCC(Cc1ccc(OCCc2ccccc2)c(OCCc2ccccc2)c1)C(=O)O
|
C29H34O4 446.587000 |
FUZCBCREAXGPEI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50351422; PubChem:CID53363220
|
Local ready
Direct docking supported
|