| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045221
BDB045221
|
BDBM50065668
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)NCc2nccs2)C(C)C)ccc1OC
|
C25H36N4O6S 520.652000 |
AMZSQJDRXBVKAV-SIKLNZKXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065668; PubChem:CID59272033
|
Local ready
Direct docking supported
|
|
E3L045222
BDB045222
|
BDBM50065669
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)NCc2ccco2)C(C)C)ccc1OC
|
C26H37N3O7 503.596000 |
USOFPMYUJNNUSD-GBXCKJPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065669; PubChem:CID59272189
|
Local ready
Direct docking supported
|
|
E3L045223
BDB045223
|
BDBM50065670
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)N2CCCC2)C(C)C)ccc1OC
|
C25H39N3O6 477.602000 |
TTXDVWYBUVWJCA-NZQKXSOJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065670; PubChem:CID59272061
|
Local ready
Direct docking supported
|
|
E3L045224
BDB045224
|
BDBM50065671
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)N(C)Cc2ccccc2)C(C)C)ccc1OC
|
C29H41N3O6 527.662000 |
UMEJXUAINGSNSP-RPLLCQBOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065671; PubChem:CID59272140
|
Local ready
Direct docking supported
|
|
E3L045225
BDB045225
|
BDBM50065672
COCCCOc1cc(C(=O)N(C[C@H]2CNC[C@@H]2OC(=O)NCc2ccccc2)C(C)C)ccc1OC
|
C28H39N3O6 513.635000 |
WGHJKYWWSVIRLL-BVAGGSTKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065672; PubChem:CID59272237
|
Local ready
Direct docking supported
|
|
E3L045226
BDB045226
|
BDBM50065673
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)Nc2cccc(OC)c2)C(C)C)ccc1OC
|
C28H39N3O7 529.634000 |
DTTGWYKEEOKCGM-HFZDXXHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065673; PubChem:CID59272046
|
Local ready
Direct docking supported
|
|
E3L045227
BDB045227
|
BDBM50065675
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2ccc3ccccc3c2)C(C)C)ccc1OC
|
C31H40N2O5 520.670000 |
DLFKNBONDZVPRD-BHBYDHKZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065675; PubChem:CID59272130
|
Local ready
Direct docking supported
|
|
E3L045228
BDB045228
|
BDBM50065676
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc3ccccc23)C(C)C)ccc1OC
|
C31H40N2O5 520.670000 |
MWUXVVAULYIYOG-FREGXXQWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065676; PubChem:CID59272165
|
Local ready
Direct docking supported
|
|
E3L045229
BDB045229
|
BDBM50065677
CCOc1ccccc1-c1cccc(CO[C@@H]2CNC[C@H]2CN(C(=O)c2ccc(OC)c(OCCCOC)c2)C(C)C)c1
|
C35H46N2O6 590.761000 |
YHEKFHIAOXVZPM-ZBWWXOROSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065677; PubChem:CID59272087
|
Local ready
Direct docking supported
|
|
E3L045230
BDB045230
|
BDBM50065678
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(-c3ccccc3OC)c2)C(C)C)ccc1OC
|
C34H44N2O6 576.734000 |
ZXIXVMRSLAFZBL-QPQHGXMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065678; PubChem:CID59272188
|
Local ready
Direct docking supported
|
|
E3L045231
BDB045231
|
BDBM50065679
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(-c3cccc(OC)c3)c2)C(C)C)ccc1OC
|
C34H44N2O6 576.734000 |
TWXVJJRDRDVKPK-RYCFQHDISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065679; PubChem:CID118730135
|
Local ready
Direct docking supported
|
|
E3L045232
BDB045232
|
BDBM50065680
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(-c3cccc(C)c3)c2)C(C)C)ccc1OC
|
C34H44N2O5 560.735000 |
GYURMHJSNYXVEG-BZKUTMRRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065680; PubChem:CID59271973
|
Local ready
Direct docking supported
|
|
E3L045233
BDB045233
|
BDBM50065681
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(-n3cccc3)c2)C(C)C)ccc1OC
|
C31H41N3O5 535.685000 |
JQBSHVXVLBXSPW-FREGXXQWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065681; PubChem:CID59272220
|
Local ready
Direct docking supported
|
|
E3L045234
BDB045234
|
BDBM50065682
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(Oc3ccccc3)c2)C(C)C)ccc1OC
|
C33H42N2O6 562.707000 |
WHRQSTQRIJWMMG-QVWWMRLHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065682; PubChem:CID59272264
|
Local ready
Direct docking supported
|
|
E3L045235
BDB045235
|
BDBM50065683
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(OC)c2)C(C)C)ccc1OC
|
C28H40N2O6 500.636000 |
CZAMPUPYSSGHRM-WNCULLNHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065683; PubChem:CID68447092
|
Local ready
Direct docking supported
|
|
E3L045236
BDB045236
|
BDBM50065684
COCCCOc1cc(C(=O)N(C[C@H]2CNC[C@H]2OCc2ccccc2)C(C)C)ccc1OC
|
C27H38N2O5 470.610000 |
HEBOCTIWHACMIH-ZEQKJWHPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065684; PubChem:CID118730134
|
Local ready
Direct docking supported
|
|
E3L045237
BDB045237
|
BDBM50065685
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Oc2ccc(C(F)(F)F)cc2)C(C)C)ccc1OC
|
C27H35F3N2O5 524.580000 |
OXUZVSMBKBOOGX-NBGIEHNGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065685; PubChem:CID59272225
|
Local ready
Direct docking supported
|
|
E3L045238
BDB045238
|
BDBM50066146
CN(C(=O)c1ccccc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
|
C22H17N5O 367.412000 |
CRPVIDJZMQAHEI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50066146; PubChem:CID135870688
|
Local ready
Direct docking supported
|
|
E3L045239
BDB045239
|
BDBM50066147
CN(C(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
|
C22H16ClN5O 401.857000 |
YZBMHYSRLZDPID-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50066147; PubChem:CID135870699
|
Local ready
Direct docking supported
|
|
E3L045240
BDB045240
|
BDBM50066148
CN(C(=O)Nc1ccccc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
|
C22H18N6O 382.427000 |
NKHGEJCOAAXJED-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50066148; PubChem:CID136961426
|
Local ready
Direct docking supported
|