| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044841
BDB044841
|
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
|
C14H15NO3S 277.345000 |
GRHJWSCCVQIJAK-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50044901; PubChem:CID796476
|
Local ready
Direct docking supported
|
|
E3L044842
BDB044842
|
2-(2-Methoxyphenyl)-1H-imidazo[4,5-b]pyridine
COc1ccccc1-c1nc2ncccc2[nH]1
|
C13H11N3O 225.251000 |
PFHUJGAJIKIZHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50045027; PubChem:CID10466228
|
Local ready
Direct docking supported
|
|
E3L044843
BDB044843
|
BDBM50045280
CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)c1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C33H51N5O7S2 693.933000 |
WYYVIFHQMYJLJN-MZBLVXSRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045280; PubChem:CID44322035
|
Local ready
Direct docking supported
|
|
E3L044844
BDB044844
|
BDBM50045281
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](O)C(C)C
|
C32H52N4O7S 636.856000 |
DVRJOUXWYVOMLR-IIZANFQQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045281; PubChem:CID44321765
|
Local ready
Direct docking supported
|
|
E3L044845
BDB044845
|
BDBM50045282
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](O)CC
|
C31H50N4O7S 622.829000 |
YZORPUYWQSMGBV-QZLCNWOESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045282; PubChem:CID44322084
|
Local ready
Direct docking supported
|
|
E3L044846
BDB044846
|
BDBM50045283
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](O)CC
|
C31H50N4O7S 622.829000 |
YZORPUYWQSMGBV-ZIUUJSQJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045283; PubChem:CID44322074
|
Local ready
Direct docking supported
|
|
E3L044847
BDB044847
|
BDBM50045284
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)C(=O)NC[C@@H](C)CC
|
C34H53F2N5O7S 713.889000 |
SXQPECMJHHMDFO-DUGYJJFCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045284
|
Local ready
Direct docking supported
|
|
E3L044848
BDB044848
|
BDBM50045285
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](O)C1SCCCS1
|
C33H52N4O7S3 713.001000 |
ZKQFFTQZNAYNHR-IIZANFQQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045285; PubChem:CID44321766
|
Local ready
Direct docking supported
|
|
E3L044849
BDB044849
|
BDBM50045286
CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C32H50N6O7S 662.854000 |
UXMAYVMTBZDBGV-MZBLVXSRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045286; PubChem:CID91929322
|
Local ready
Direct docking supported
|
|
E3L044850
BDB044850
|
BDBM50045287
C=CCSC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](O)CC
|
C31H50N4O7S2 654.896000 |
YZCWZTFSJLJQLC-UHBCUYOASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045287; PubChem:CID44322075
|
Local ready
Direct docking supported
|
|
E3L044851
BDB044851
|
BDBM50045288
CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)OC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C31H50N4O9S 654.827000 |
GNXRLNXFKDAFQU-ABTFIVDISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045288; PubChem:CID44322087
|
Local ready
Direct docking supported
|
|
E3L044852
BDB044852
|
BDBM50045289
CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C34H58N6O7S2 727.007000 |
UFJYUSGISGEOOF-QKUYTOGTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045289
|
Local ready
Direct docking supported
|
|
E3L044853
BDB044853
|
BDBM50045290
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NC[C@@H](C)CC
|
C34H51F2N5O7S 711.873000 |
BDYFZQDNIIZQQW-JSRHHAARSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045290
|
Local ready
Direct docking supported
|
|
E3L044854
BDB044854
|
BDBM50045291
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H54F2N6O8S 756.914000 |
PVHMTQKFPXCDJQ-XHPANXIASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045291
|
Local ready
Direct docking supported
|
|
E3L044855
BDB044855
|
BDBM50045292
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H52N4O7S 636.856000 |
YTIOGZLHYJDYTK-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045292; PubChem:CID10394329
|
Local ready
Direct docking supported
|
|
E3L044856
BDB044856
|
BDBM50045293
CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C28H46N4O7S 582.764000 |
YSTHUTDINUQVFV-RSYZFUPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045293; PubChem:CID44322083
|
Local ready
Direct docking supported
|
|
E3L044857
BDB044857
|
BDBM50045681
N[C@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1
|
C39H55N7O5 701.913000 |
XUXARIFEKRPTJG-VIHHILSWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045681
|
Local ready
Direct docking supported
|
|
E3L044858
BDB044858
|
BDBM50045682
CCC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
|
C38H57N5O5 663.904000 |
YHLOJFFKNNXDIO-DIIQFSBDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045682; PubChem:CID15714121
|
Local ready
Direct docking supported
|
|
E3L044859
BDB044859
|
BDBM50045683
NC1CCN(C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1
|
C39H55N7O5 701.913000 |
LGVOTNOMAMGKRU-XHRNTERESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045683; PubChem:CID9853618
|
Local ready
Direct docking supported
|
|
E3L044860
BDB044860
|
BDBM50045684
NC1CCN(S(=O)(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1
|
C38H55N7O6S 737.968000 |
FNWHVNIVEHHXBC-AFJKRBKMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045684; PubChem:CID44327278
|
Local ready
Direct docking supported
|