| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052821
BDB052821
|
BDBM50329020
O=C(c1c(Oc2ccccc2)n(-c2ccccn2)c2ccccc12)N1CCNCC1
|
C24H22N4O2 398.466000 |
HWIUUYROPRXNOV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329020; PubChem:CID52946933
|
Local ready
Direct docking supported
|
|
E3L052822
BDB052822
|
BDBM50329021
O=C(c1c(Oc2ccccc2)n(-c2ccc(F)cc2)c2ccccc12)N1CCNCC1
|
C25H22FN3O2 415.468000 |
SVVHSMBVQZVBEO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329021; PubChem:CID52942087
|
Local ready
Direct docking supported
|
|
E3L052823
BDB052823
|
BDBM50329022
COCCCOc1ccccc1-n1c(Oc2ccccc2)c(C(=O)N2CCNCC2)c2ccccc21
|
C29H31N3O4 485.584000 |
QTFDGBWONTYZSF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329022; PubChem:CID52946943
|
Local ready
Direct docking supported
|
|
E3L052824
BDB052824
|
BDBM50329023
COCCCOc1cccc(-n2c(Oc3ccccc3)c(C(=O)N3CCNCC3)c3ccccc32)c1
|
C29H31N3O4 485.584000 |
OBDRVZJDVJSBBY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329023; PubChem:CID52946944
|
Local ready
Direct docking supported
|
|
E3L052825
BDB052825
|
BDBM50329024
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCCCC1
|
C27H32FN3O 433.571000 |
AIDQCXHHEVKKHM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329024; PubChem:CID52946869
|
Local ready
Direct docking supported
|
|
E3L052826
BDB052826
|
BDBM50329025
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCCC1
|
C26H30FN3O 419.544000 |
GEERKPOHXIOJBX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329025; PubChem:CID52944414
|
Local ready
Direct docking supported
|
|
E3L052827
BDB052827
|
BDBM50329026
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCOCC1
|
C26H30FN3O2 435.543000 |
PJHOTDYSRPDAKE-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329026; PubChem:CID52940901
|
Local ready
Direct docking supported
|
|
E3L052828
BDB052828
|
BDBM50329027
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccc(=O)[nH]c1
|
C26H25FN4O2 444.510000 |
DWPCFWJQVCOJTJ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329027; PubChem:CID52944486
|
Local ready
Direct docking supported
|
|
E3L052829
BDB052829
|
BDBM50329028
COc1ccc(-n2c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c3ccccc32)cn1
|
C27H27FN4O2 458.537000 |
AVBSBBVDUIIRCW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329028; PubChem:CID52944495
|
Local ready
Direct docking supported
|
|
E3L052830
BDB052830
|
BDBM50329029
COc1ccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1
|
C27H26FN3O3 459.521000 |
VYLVRENPOKYLIN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329029; PubChem:CID52946960
|
Local ready
Direct docking supported
|
|
E3L052831
BDB052831
|
BDBM50329030
COc1ccc2c(c1)c(C(=O)N1CCNCC1)c(Oc1cc(F)ccc1C)n2-c1ccccc1
|
C27H26FN3O3 459.521000 |
HHFLMLDKLIAVTB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329030; PubChem:CID52944053
|
Local ready
Direct docking supported
|
|
E3L052832
BDB052832
|
BDBM50329031
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)ccc2n1-c1ccccc1
|
C26H24FN3O3 445.494000 |
BRPMIYCKYBPRMN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329031; PubChem:CID52949598
|
Local ready
Direct docking supported
|
|
E3L052833
BDB052833
|
BDBM50329032
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(C(N)=O)ccc2n1-c1ccccc1
|
C27H25FN4O3 472.520000 |
JQRKLXIVOQTTJS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329032; PubChem:CID52944597
|
Local ready
Direct docking supported
|
|
E3L052834
BDB052834
|
BDBM50329033
O=C(c1c(N2CCCCC2)n(-c2ccccc2)c2ccccc12)N1CCNCC1
|
C24H28N4O 388.515000 |
OHUFIHGWJMMVRJ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329033; PubChem:CID52942286
|
Local ready
Direct docking supported
|
|
E3L052835
BDB052835
|
2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole
O=C(c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12)N1CCNCC1
|
C25H23N3O2 397.478000 |
PAQQZWUEZAUGRI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329034; PubChem:CID44158435
|
Local ready
Direct docking supported
|
|
E3L052836
BDB052836
|
BDBM50329035
CN(c1ccccc1)c1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
|
C26H26N4O 410.521000 |
CLDBGBVJWUYGJV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329035; PubChem:CID44158432
|
Local ready
Direct docking supported
|
|
E3L052837
BDB052837
|
BDBM50329036
O=C(c1c(Oc2cccc(C(F)(F)F)c2)n(-c2ccccc2)c2ccccc12)N1CCNCC1
|
C26H22F3N3O2 465.475000 |
AQHDEXLJXRDRRK-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329036; PubChem:CID52948980
|
Local ready
Direct docking supported
|
|
E3L052838
BDB052838
|
BDBM50329037
COc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
|
C26H25N3O3 427.504000 |
CHVMYTWNHJQLKQ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329037; PubChem:CID52948313
|
Local ready
Direct docking supported
|
|
E3L052839
BDB052839
|
BDBM50329038
Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
|
C26H25N3O2 411.505000 |
KLJNZCHPACQUDJ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329038; PubChem:CID44160197
|
Local ready
Direct docking supported
|
|
E3L052840
BDB052840
|
BDBM50329039
Cc1ccccc1Sc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
|
C26H25N3OS 427.573000 |
CINYCCNFMARISY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329039; PubChem:CID52949546
|
Local ready
Direct docking supported
|