| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053381
BDB053381
|
BDBM50347002
CCn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCCOC)cc(OCCOC)c2)C2CC2)cc1=O
|
C30H43N3O5 525.690000 |
AXBFXWNMQYOMAF-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347002; PubChem:CID56669910
|
Local ready
Direct docking supported
|
|
E3L053382
BDB053382
|
BDBM50347003
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c(C)c2C)C2CC2)cc(OCCOC)c1
|
C31H45N3O5 539.717000 |
QSXJAPNLGQJDOZ-PXJZQJOASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347003; PubChem:CID56683392
|
Local ready
Direct docking supported
|
|
E3L053383
BDB053383
|
BDBM50347004
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3ccccc23)C2CC2)cc(OCCOC)c1
|
C33H43N3O5 561.723000 |
GQLRKTKPJZISGL-OFSOJUDTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347004; PubChem:CID44512857
|
Local ready
Direct docking supported
|
|
E3L053384
BDB053384
|
BDBM50347005
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3cc(Cl)ccc23)C2CC2)cc(OCCOC)c1
|
C33H42ClN3O5 596.168000 |
SJXHOSOXNVFLKW-OFSOJUDTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347005; PubChem:CID44473168
|
Local ready
Direct docking supported
|
|
E3L053385
BDB053385
|
BDBM50347006
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)cc1=O
|
C22H25Cl2N3O2 434.367000 |
MKZFUCULUUTWOC-MSOLQXFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347006; PubChem:CID44481067
|
Local ready
Direct docking supported
|
|
E3L053386
BDB053386
|
BDBM50347007
COCCNc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1
|
C25H32Cl2N4O3 507.462000 |
RJAJLJQGZUGFPU-RTWAWAEBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347007; PubChem:CID44482139
|
Local ready
Direct docking supported
|
|
E3L053387
BDB053387
|
BDBM50347008
COCCCc1cc(C)c(C)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1
|
C28H39N3O3 465.638000 |
LPGZXVGWFKRUJB-FTJBHMTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347008; PubChem:CID44479563
|
Local ready
Direct docking supported
|
|
E3L053388
BDB053388
|
BDBM50347009
COCCCc1cc(Br)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1
|
C26H34BrN3O3 516.480000 |
CFPVAVIVMPQWCL-RPWUZVMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347009; PubChem:CID44482409
|
Local ready
Direct docking supported
|
|
E3L053389
BDB053389
|
BDBM50347010
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)cc(Br)c1C
|
C27H36BrN3O3 530.507000 |
HELJPBHTIIYJPZ-RPWUZVMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347010; PubChem:CID44462719
|
Local ready
Direct docking supported
|
|
E3L053390
BDB053390
|
BDBM50347011
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)cc(-c2ccccc2)c1
|
C32H39N3O3 513.682000 |
JVIJZLPTVSWJDD-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347011; PubChem:CID56683889
|
Local ready
Direct docking supported
|
|
E3L053391
BDB053391
|
BDBM50347012
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2ccccc2c1
|
C30H37N3O3 487.644000 |
MYFRZOVUPCMRQK-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347012; PubChem:CID56673914
|
Local ready
Direct docking supported
|
|
E3L053392
BDB053392
|
BDBM50347013
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2ccccc2n1
|
C29H36N4O3 488.632000 |
AIHPSRCSQFDKTK-RSXGOPAZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347013; PubChem:CID44481860
|
Local ready
Direct docking supported
|
|
E3L053393
BDB053393
|
BDBM50347014
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2ncccc2c1
|
C29H36N4O3 488.632000 |
RUOVAJPKWFGNRT-FTJBHMTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347014; PubChem:CID56660076
|
Local ready
Direct docking supported
|
|
E3L053394
BDB053394
|
BDBM50347015
COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2ccccc21
|
C28H36N4O3 476.621000 |
JZXHVNKYCRZJGN-NOZRDPDXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347015; PubChem:CID44481065
|
Local ready
Direct docking supported
|
|
E3L053395
BDB053395
|
BDBM50347016
COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c(F)cccc21
|
C28H35FN4O3 494.611000 |
FEFMYHRWHRBBAH-PKTZIBPZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347016; PubChem:CID44479309
|
Local ready
Direct docking supported
|
|
E3L053396
BDB053396
|
BDBM50347017
COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c(Cl)cccc21
|
C28H35ClN4O3 511.066000 |
AUOWJTDDNOBEPP-PKTZIBPZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347017; PubChem:CID44479310
|
Local ready
Direct docking supported
|
|
E3L053397
BDB053397
|
BDBM50347018
COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c(Br)cccc21
|
C28H35BrN4O3 555.517000 |
FOUWTOBVFXYECJ-PKTZIBPZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347018; PubChem:CID56677248
|
Local ready
Direct docking supported
|
|
E3L053398
BDB053398
|
BDBM50347019
COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1
|
C26H33Cl2N3O3 506.474000 |
AMGBGCLXZDYDOH-YADHBBJMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347019; PubChem:CID44481316
|
Local ready
Direct docking supported
|
|
E3L053399
BDB053399
|
BDBM50347563
CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C29H31N7 477.616000 |
HHFWRZYDWOGTJX-VWLOTQADSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347563; PubChem:CID45102750
|
Local ready
Direct docking supported
|
|
E3L053400
BDB053400
|
BDBM50347564
Cc1cc(CC(C)C)nc2c1nc(C(C)C)n2[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C30H33N7 491.643000 |
HHBRJKDGDMTATE-SANMLTNESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50347564; PubChem:CID53309404
|
Local ready
Direct docking supported
|