| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053841
BDB053841
|
BDBM50355517
O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1
|
C31H29F4N3O2 551.584000 |
WYPKPMSOWOXCPF-XJFCNFDWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355517; PubChem:CID53307875
|
Local ready
Direct docking supported
|
|
E3L053842
BDB053842
|
BDBM50355518
O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(F)c(F)c2)c2cccc(F)c12)C1CC1
|
C31H28F5N3O2 569.574000 |
UIZGWTRYQVFMHV-UVDDSOTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355518; PubChem:CID57395455
|
Local ready
Direct docking supported
|
|
E3L053843
BDB053843
|
BDBM50355519
O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccnc2)c2cccc(F)c12)C1CC1
|
C30H29F3N4O2 534.582000 |
GTPUUTXWVUCADD-DJUQAAIZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355519; PubChem:CID57393729
|
Local ready
Direct docking supported
|
|
E3L053844
BDB053844
|
BDBM50355520
O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccncc2)c2cccc(F)c12)C1CC1
|
C30H29F3N4O2 534.582000 |
WHFCAFURBKBBKC-DJUQAAIZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355520; PubChem:CID57398984
|
Local ready
Direct docking supported
|
|
E3L053845
BDB053845
|
BDBM50355521
Cc1ccc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)cn1
|
C31H31F3N4O2 548.609000 |
LVQKKHWEPPQIMP-XJFCNFDWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355521; PubChem:CID57398992
|
Local ready
Direct docking supported
|
|
E3L053846
BDB053846
|
BDBM50355522
Cc1cc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)ccn1
|
C31H31F3N4O2 548.609000 |
WUJLFXTVWGUSLT-XJFCNFDWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355522; PubChem:CID53307957
|
Local ready
Direct docking supported
|
|
E3L053847
BDB053847
|
BDBM50355523
COCCCc1cc(CN(C(=O)C2CNCCC2(O)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1
|
C29H38F2N2O5 532.628000 |
STXFMRGIISYYJC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355523; PubChem:CID57392011
|
Local ready
Direct docking supported
|
|
E3L053848
BDB053848
|
BDBM50355524
O=C([C@H]1CNCC[C@]1(OCC(O)CO)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1
|
C34H35F4N3O4 625.663000 |
SWMZTVYJBYTXIJ-QZCNEVKDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355524; PubChem:CID53307874
|
Local ready
Direct docking supported
|
|
E3L053849
BDB053849
|
BDBM50355525
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(Cl)c(F)c2)C2CC2)cc(OCCOC)c1
|
C29H38ClFN2O5 549.083000 |
KRWJFUBQWFLSGP-IRPSRAIASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355525; PubChem:CID42641566
|
Local ready
Direct docking supported
|
|
E3L053850
BDB053850
|
BDBM50355526
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1
|
C29H38F2N2O5 532.628000 |
STXFMRGIISYYJC-IRPSRAIASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355526; PubChem:CID42641453
|
Local ready
Direct docking supported
|
|
E3L053851
BDB053851
|
BDBM50355527
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2cc(F)cc(F)c2)C2CC2)cc(OCCOC)c1
|
C29H38F2N2O5 532.628000 |
OPUYLKSOQDPFIT-PXJZQJOASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355527; PubChem:CID42641563
|
Local ready
Direct docking supported
|
|
E3L053852
BDB053852
|
BDBM50355528
O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C22H22Cl2F2N2O2 455.332000 |
FWYULHNNWLZLLU-ZHRRBRCNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355528; PubChem:CID42642010
|
Local ready
Direct docking supported
|
|
E3L053853
BDB053853
|
BDBM50355529
COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c1
|
C26H31ClF2N2O3 492.994000 |
FAHCBYJKBBACKL-RLWLMLJZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355529; PubChem:CID42642011
|
Local ready
Direct docking supported
|
|
E3L053854
BDB053854
|
BDBM50355530
COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c1
|
C25H29ClF2N2O3 478.967000 |
UFNDAMPQZLFUFY-NLFFAJNJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355530; PubChem:CID42641905
|
Local ready
Direct docking supported
|
|
E3L053855
BDB053855
|
BDBM50355531
O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(F)c12)C1CC1
|
C24H24F3N3O2 443.469000 |
ZGIDCXXYEXOUKL-OSPHWJPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355531; PubChem:CID57397294
|
Local ready
Direct docking supported
|
|
E3L053856
BDB053856
|
BDBM50355532
O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(Cl)c12)C1CC1
|
C24H24ClF2N3O2 459.924000 |
DSGWDXYVJJIYQG-OSPHWJPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355532; PubChem:CID57392012
|
Local ready
Direct docking supported
|
|
E3L053857
BDB053857
|
BDBM50355533
O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(Br)c12)C1CC1
|
C24H24BrF2N3O2 504.375000 |
CPXLZICOKBVEDB-OSPHWJPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355533; PubChem:CID57393726
|
Local ready
Direct docking supported
|
|
E3L053858
BDB053858
|
BDBM50355534
COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)cccc21
|
C28H32F3N3O3 515.576000 |
QETRMJYOTVAWOJ-PIKZIKFNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355534; PubChem:CID57392013
|
Local ready
Direct docking supported
|
|
E3L053859
BDB053859
|
BDBM50355535
COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c[nH]c12
|
C28H32F3N3O3 515.576000 |
YXCBIJXQIYZLHF-PIKZIKFNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355535; PubChem:CID57397295
|
Local ready
Direct docking supported
|
|
E3L053860
BDB053860
|
BDBM50355536
COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)cn(CCCOC)c12
|
C32H40F3N3O4 587.683000 |
AKMRUTYKQUCDPI-GOXGLGGOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50355536; PubChem:CID57397296
|
Local ready
Direct docking supported
|