| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000321
BDB000321
|
BDBM18017
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCC(=O)OC)CCC2
|
C19H25N5O2 355.442000 |
OOXSSXPKHGFWIG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18017; PubChem:CID23647908
|
Local ready
Direct docking supported
|
|
E3L000322
BDB000322
|
BDBM18018
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC(=O)OC)CCC2
|
C20H27N5O2 369.469000 |
CQONVFYJFFOPQX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18018; PubChem:CID23647909
|
Local ready
Direct docking supported
|
|
E3L000323
BDB000323
|
BDBM18019
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCCC(=O)OC)CCC2
|
C21H29N5O2 383.496000 |
KOZVNMWDJGMEPW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18019; PubChem:CID23647910
|
Local ready
Direct docking supported
|
|
E3L000324
BDB000324
|
BDBM18020
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)CCC2
|
C19H26N6O 354.458000 |
RJXJBPIINHJDPV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18020; PubChem:CID23628222
|
Local ready
Direct docking supported
|
|
E3L000325
BDB000325
|
Ketopiperazine-based inhibitor, 2
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCN(C)C(C)=O)CCC3)cc1
|
C36H46N4O6 630.786000 |
QUBCQRMRMDXUHX-WJOKGBTCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18022; PubChem:CID23644725
|
Local ready
Direct docking supported
|
|
E3L000326
BDB000326
|
BDBM18023
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCN2CCCC2=O)CCC3)cc1
|
C37H46N4O6 642.797000 |
GNLDZONRYOENMG-WJOKGBTCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18023; PubChem:CID23647911
|
Local ready
Direct docking supported
|
|
E3L000327
BDB000327
|
BDBM18024
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCN2CCOC2=O)CCC3)cc1
|
C36H44N4O7 644.769000 |
FBIQASFAEYMVBJ-SSEXGKCCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18024; PubChem:CID23644726
|
Local ready
Direct docking supported
|
|
E3L000328
BDB000328
|
BDBM18025
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCOC(C)=O)CCC3)cc1
|
C35H43N3O7 617.743000 |
QTZPBDZFGJCOEY-SSEXGKCCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18025; PubChem:CID11227351
|
Local ready
Direct docking supported
|
|
E3L000329
BDB000329
|
BDBM18026
CCC(=O)OCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
|
C36H45N3O7 631.770000 |
GSKJXPTZYJBTHL-SSEXGKCCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18026; PubChem:CID11388049
|
Local ready
Direct docking supported
|
|
E3L000330
BDB000330
|
BDBM18027
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCOC(=O)C(C)C)CCC3)cc1
|
C37H47N3O7 645.797000 |
APVPAEUTGJXHOF-WJOKGBTCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18027; PubChem:CID23647912
|
Local ready
Direct docking supported
|
|
E3L000331
BDB000331
|
BDBM18028
COCCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
|
C35H45N3O6 603.760000 |
ZBADYPWHOVIUSC-SSEXGKCCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18028; PubChem:CID11387864
|
Local ready
Direct docking supported
|
|
E3L000332
BDB000332
|
BDBM18029
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCCO)CCC3)cc1
|
C34H43N3O6 589.733000 |
HEFYJBZEIVFECQ-GDLZYMKVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18029; PubChem:CID23586140
|
Local ready
Direct docking supported
|
|
E3L000333
BDB000333
|
BDBM18030
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCC(=O)O)CCC3)cc1
|
C34H41N3O7 603.716000 |
FMXZUNZJIFSWPW-MUUNZHRXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18030; PubChem:CID23647913
|
Local ready
Direct docking supported
|
|
E3L000334
BDB000334
|
Ketopiperazine-based inhibitor, 11
COCCCN1C(=O)CCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
|
C35H43N3O7 617.743000 |
HSXYVWHEMSHBBB-GDLZYMKVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18031; PubChem:CID11204336
|
Local ready
Direct docking supported
|
|
E3L000335
BDB000335
|
Ketopiperazine-based inhibitor, 12
COCCCN1C(=O)COc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
|
C34H41N3O8 619.715000 |
WKNXTOXSVTVKNH-HHHXNRCGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18032; PubChem:CID23644727
|
Local ready
Direct docking supported
|
|
E3L000336
BDB000336
|
Ketopiperazine-based inhibitor, 13
COCCCN1C(=O)COc2ccc(SC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
|
C34H41N3O7S 635.783000 |
OKAUHDJQKYCWBT-HHHXNRCGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18033; PubChem:CID11422288
|
Local ready
Direct docking supported
|
|
E3L000337
BDB000337
|
Ketopiperazine-based inhibitor, 14
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CC(=O)O)C(=O)CO3)cc1
|
C32H35N3O9 605.644000 |
XTVVJSSQHZOGSY-XMMPIXPASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18034; PubChem:CID11962165
|
Local ready
Direct docking supported
|
|
E3L000338
BDB000338
|
Ketopiperazine-based inhibitor, 15
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2CSc2ccc3c(c2)N(CC(=O)O)C(=O)CO3)cc1
|
C32H35N3O8S 621.712000 |
IJDCSVYTXFLAHR-XMMPIXPASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18035; PubChem:CID23647914
|
Local ready
Direct docking supported
|
|
E3L000339
BDB000339
|
BDBM18036
CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)cc(F)c2)cc1
|
C19H19F2N5 355.392000 |
SRRWXMSVQYQCRX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18036; PubChem:CID6914633
|
Local ready
Direct docking supported
|
|
E3L000340
BDB000340
|
BDBM18037
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2
|
C19H27N5O 341.459000 |
AYPFLXLPOWWLSY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18037; PubChem:CID23628221
|
Local ready
Direct docking supported
|