| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053741
BDB053741
|
BDBM50352964
O=C(c1c(Cc2ccccc2)n(-c2ccccc2)c2cccnc12)N1CCNCC1
|
C25H24N4O 396.494000 |
SQSFQDSWGXIFAO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352964; PubChem:CID44158682
|
Local ready
Direct docking supported
|
|
E3L053742
BDB053742
|
BDBM50352965
CC(c1ccccc1)c1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C26H26N4O 410.521000 |
JCSAEZOESPJBNO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352965; PubChem:CID56661689
|
Local ready
Direct docking supported
|
|
E3L053743
BDB053743
|
BDBM50352966
Cc1ccccc1Cc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C26H26N4O 410.521000 |
OTHVLUVJALFSAG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352966; PubChem:CID44158683
|
Local ready
Direct docking supported
|
|
E3L053744
BDB053744
|
BDBM50352967
O=C(c1c(Cc2cccc(F)c2F)n(-c2ccccc2)c2cccnc12)N1CCNCC1
|
C25H22F2N4O 432.474000 |
HTLIAMARUGLDNT-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352967; PubChem:CID56665116
|
Local ready
Direct docking supported
|
|
E3L053745
BDB053745
|
BDBM50352968
Cc1cc(F)cc(C)c1Cc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C27H27FN4O 442.538000 |
YPEUHWRGCCJAPS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352968; PubChem:CID56661690
|
Local ready
Direct docking supported
|
|
E3L053746
BDB053746
|
BDBM50352969
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C26H25FN4O 428.511000 |
WJGPWEZOTBEYDR-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352969; PubChem:CID44158791
|
Local ready
Direct docking supported
|
|
E3L053747
BDB053747
|
BDBM50352970
Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1C1CCCCC1
|
C26H32N4O2 432.568000 |
PKGITMAZNDYLEE-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352970; PubChem:CID56678781
|
Local ready
Direct docking supported
|
|
E3L053748
BDB053748
|
BDBM50352971
Cc1cccc(C)c1Oc1c(C(=O)N2CCN[C@@H](C)C2)c2ncccc2n1C1CCCCC1
|
C27H34N4O2 446.595000 |
KGUJYRTYDONZSI-FQEVSTJZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352971; PubChem:CID56682098
|
Local ready
Direct docking supported
|
|
E3L053749
BDB053749
|
BDBM50352972
Cc1cccc(C)c1Oc1c(C(=O)N2CCN[C@@H](C)C2)c2ncccc2n1-c1ccccc1
|
C27H28N4O2 440.547000 |
WHPAXOCKLYOINS-FQEVSTJZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352972; PubChem:CID56665117
|
Local ready
Direct docking supported
|
|
E3L053750
BDB053750
|
BDBM50352973
Cc1cccc(C)c1Oc1c(C(=O)N2CCN[C@@H](CO)C2)c2ncccc2n1C1CCCCC1
|
C27H34N4O3 462.594000 |
NBHAHJUVDBZLNM-HXUWFJFHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352973; PubChem:CID56678782
|
Local ready
Direct docking supported
|
|
E3L053751
BDB053751
|
BDBM50352974
Cc1cccc(C)c1Oc1c(C(=O)N2CCN[C@@H](CO)C2)c2ncccc2n1-c1ccccc1
|
C27H28N4O3 456.546000 |
REBBXLRILBIALU-HXUWFJFHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352974; PubChem:CID56665118
|
Local ready
Direct docking supported
|
|
E3L053752
BDB053752
|
BDBM50352975
COC[C@H]1CN(C(=O)c2c(Oc3c(C)cccc3C)n(C3CCCCC3)c3cccnc23)CCN1
|
C28H36N4O3 476.621000 |
PXQCSMBFNSTKJB-OAQYLSRUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352975; PubChem:CID56682099
|
Local ready
Direct docking supported
|
|
E3L053753
BDB053753
|
BDBM50352976
COC[C@H]1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1
|
C28H30N4O3 470.573000 |
VUJCHPMUADKYDE-OAQYLSRUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352976; PubChem:CID56668562
|
Local ready
Direct docking supported
|
|
E3L053754
BDB053754
|
BDBM50352977
CC[C@H]1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1
|
C28H30N4O2 454.574000 |
KNUIWMFAPWCYTC-NRFANRHFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352977; PubChem:CID56661691
|
Local ready
Direct docking supported
|
|
E3L053755
BDB053755
|
BDBM50352978
CCC[C@H]1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1
|
C29H32N4O2 468.601000 |
BIXHZHOQBICKTJ-QFIPXVFZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352978; PubChem:CID56665119
|
Local ready
Direct docking supported
|
|
E3L053756
BDB053756
|
BDBM50352979
CCCCC1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1
|
C30H34N4O2 482.628000 |
ZHPFDIWSDZGDIB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352979; PubChem:CID56665120
|
Local ready
Direct docking supported
|
|
E3L053757
BDB053757
|
BDBM50352980
COC(=O)CC1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1
|
C29H30N4O4 498.583000 |
FVLAKRBRJRYJEW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352980; PubChem:CID56668563
|
Local ready
Direct docking supported
|
|
E3L053758
BDB053758
|
BDBM50352981
CNC(=O)CC1CN(C(=O)c2c(Oc3c(C)cccc3C)n(-c3ccccc3)c3cccnc23)CCN1
|
C29H31N5O3 497.599000 |
BTWSNCREUBZHPF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352981; PubChem:CID56672056
|
Local ready
Direct docking supported
|
|
E3L053759
BDB053759
|
BDBM50352982
Cc1cccc(C)c1Oc1c(C(=O)N2CCNC[C@@H]2Cc2ccccc2)c2ncccc2n1-c1ccccc1
|
C33H32N4O2 516.645000 |
SESUGWVGPKXMLN-MHZLTWQESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352982; PubChem:CID56675444
|
Local ready
Direct docking supported
|
|
E3L053760
BDB053760
|
BDBM50352983
COc1ccc2c(n1)c(C(=O)N1CCNCC1)c(Oc1cc(F)ccc1C)n2-c1ccccc1
|
C26H25FN4O3 460.509000 |
VFXBPQWZXNTQEG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352983; PubChem:CID56675445
|
Local ready
Direct docking supported
|