| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044581
BDB044581
|
His-Leu-Leu-Val-Phe-OCH3
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C
|
C33H51N7O6 641.814000 |
ONSDGSQYTZTOGO-XLIKFSOKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50027891; PubChem:CID44276708
|
Local ready
Direct docking supported
|
|
E3L044582
BDB044582
|
BDBM50027893
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CC(O)CC(N)CC(C)C)C(C)C
|
C24H39N3O5 449.592000 |
RCZVWNRAXBXPPY-FLQRSKGTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50027893; PubChem:CID44282469
|
Local ready
Direct docking supported
|
|
E3L044583
BDB044583
|
BDBM50027895
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C
|
C23H36N4O5 448.564000 |
QHZUSGJBUQRKCT-BJLQDIEVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50027895; PubChem:CID44276829
|
Local ready
Direct docking supported
|
|
E3L044584
BDB044584
|
Leu-Leu-Val-Phe-OCH3
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(C)C
|
C27H44N4O5 504.672000 |
CFEXIQJRXNWVLU-MLCQCVOFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50027897; PubChem:CID13334744
|
Local ready
Direct docking supported
|
|
E3L044585
BDB044585
|
BDBM50027898
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CC=C[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C
|
C30H44N6O5 568.719000 |
HUPDLDFSMGXKKJ-TXKDVJNZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50027898
|
Local ready
Direct docking supported
|
|
E3L044586
BDB044586
|
BDBM50027899
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C/C=C/[C@@H](N)CC(C)C)C(C)C
|
C24H37N3O4 431.577000 |
FRXPCCQAULDMDT-LBUIRZMLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50027899; PubChem:CID44276843
|
Local ready
Direct docking supported
|
|
E3L044587
BDB044587
|
BDBM50028033
CC(C)(N)CNc1nc(-c2ccncc2)nc2cnccc12
|
C16H18N6 294.362000 |
KSKYRXFKNPXFGI-UHFFFAOYSA-N | O95835 | Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM50028033; PubChem:CID118715599
|
Local ready
Direct docking supported
|
|
E3L044588
BDB044588
|
BDBM50028142
CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C
|
C25H23ClN2O3 434.923000 |
FAWSUKOIROHXAP-NPMXOYFQSA-N | O15164, Q09472, Q12830, Q92793, Q92831 | Histone acetyltransferase KAT2B, Nucleosome-remodeling factor subunit BPTF, CREB-binding protein, Transcription intermediary factor 1-alpha, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50028142; PubChem:CID52912222
|
Local ready
Direct docking supported
|
|
E3L044589
BDB044589
|
BDBM50028311
CC(C)CCNC(=O)[C@@H](C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)CC(C)C
|
C21H41N3O4 399.576000 |
DPHXBGPVOJTSQU-BLAYRMRBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028311; PubChem:CID44340295
|
Local ready
Direct docking supported
|
|
E3L044590
BDB044590
|
BDBM50028312
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
|
C26H50N4O5 498.709000 |
JQOFUZAKCVQZTH-DUPGXGGSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028312; PubChem:CID44340366
|
Local ready
Direct docking supported
|
|
E3L044591
BDB044591
|
BDBM50028313
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C)C(=O)NC(CC(C)C)[C@@H](O)CO)C(C)C)C(C)C
|
C33H63N5O8 657.894000 |
AKRUNYGNLDPBSW-XJBBECLMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028313; PubChem:CID44340316
|
Local ready
Direct docking supported
|
|
E3L044592
BDB044592
|
BDBM50028314
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)NC(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1
|
C28H46N4O5 518.699000 |
GXZVQWUNJMHBNF-CGNAOQOPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028314; PubChem:CID44340274
|
Local ready
Direct docking supported
|
|
E3L044593
BDB044593
|
BDBM50028316
CC(=O)C(CC(C)C)[C@@H](O)CC(=O)N[C@H](C)C(=O)NCCC(C)C
|
C18H34N2O4 342.480000 |
USRSDLOUCZONOA-BXCKNWRKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028316; PubChem:CID44340280
|
Local ready
Direct docking supported
|
|
E3L044594
BDB044594
|
BDBM50028317
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(O)CC(N)=O)C(C)C
|
C18H35N3O4 357.495000 |
RLCRPAALSXZAIG-BHVXPOTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028317; PubChem:CID44340320
|
Local ready
Direct docking supported
|
|
E3L044595
BDB044595
|
BDBM50028319
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(CC(C)C)[C@@H](O)CC(N)=O)C(C)C)C(C)C
|
C23H44N4O5 456.628000 |
OAKLHNQDDQMTRC-JMCPUQKHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028319; PubChem:CID44340351
|
Local ready
Direct docking supported
|
|
E3L044596
BDB044596
|
BDBM50028447
COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1
|
C26H26N2O5 446.503000 |
NGPVBEGYGDKDJE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50028447; PubChem:CID101882290
|
Local ready
Direct docking supported
|
|
E3L044597
BDB044597
|
BDBM50028448
CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1
|
C25H24N2O4 416.477000 |
WBHRHYBKOQUDSY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028448; PubChem:CID118714597
|
Local ready
Direct docking supported
|
|
E3L044598
BDB044598
|
BDBM50028449
O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)c1
|
C22H15F3N2O4 428.366000 |
TUSRERUKXUPBRS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50028449; PubChem:CID118714598
|
Local ready
Direct docking supported
|
|
E3L044599
BDB044599
|
3-[[2-[(4-Bromobenzoyl)amino]benzoyl]amino]benzoic acid
O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1
|
C21H15BrN2O4 439.265000 |
QTWYHVZMLOYEJO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028450; PubChem:CID118714599
|
Local ready
Direct docking supported
|
|
E3L044600
BDB044600
|
BDBM50028451
O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)c1
|
C22H16N2O6 404.378000 |
JYGNHKASLKGALM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50028451; PubChem:CID118714600
|
Local ready
Direct docking supported
|