| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053761
BDB053761
|
BDBM50352984
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2[nH]c(=O)ccc2n1-c1ccccc1
|
C25H23FN4O3 446.482000 |
YXDFOVVCPQCZQF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352984; PubChem:CID56658190
|
Local ready
Direct docking supported
|
|
E3L053762
BDB053762
|
BDBM50352985
Cc1cnc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1
|
C26H25FN4O2 444.510000 |
FEKODXBOXQARAJ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352985; PubChem:CID56672057
|
Local ready
Direct docking supported
|
|
E3L053763
BDB053763
|
BDBM50352986
Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncc(O)cc2n1-c1ccccc1
|
C26H26N4O3 442.519000 |
YHXAIWINNKJAHF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352986; PubChem:CID56668564
|
Local ready
Direct docking supported
|
|
E3L053764
BDB053764
|
BDBM50352987
CCOc1cnc2c(C(=O)N3CCNCC3)c(Oc3c(C)cccc3C)n(-c3ccccc3)c2c1
|
C28H30N4O3 470.573000 |
UNSQCOBKHPRJKD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352987; PubChem:CID56665121
|
Local ready
Direct docking supported
|
|
E3L053765
BDB053765
|
BDBM50352988
Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncc(OCC(=O)O)cc2n1-c1ccccc1
|
C28H28N4O5 500.555000 |
XZTXPBPBCVXECY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352988; PubChem:CID56661692
|
Local ready
Direct docking supported
|
|
E3L053766
BDB053766
|
BDBM50352989
Cc1cnc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2c1
|
C27H27FN4O 442.538000 |
AZANXEBSVGOALY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352989; PubChem:CID56665122
|
Local ready
Direct docking supported
|
|
E3L053767
BDB053767
|
BDBM50352990
COc1ccc2c(n1)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2-c1ccccc1
|
C27H27FN4O2 458.537000 |
WGWZYKGBZQQQMG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352990; PubChem:CID44158795
|
Local ready
Direct docking supported
|
|
E3L053768
BDB053768
|
BDBM50352991
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2[nH]c(=O)ccc2n1-c1ccccc1
|
C26H25FN4O2 444.510000 |
WJJKEGAJQNHCKY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352991; PubChem:CID44158796
|
Local ready
Direct docking supported
|
|
E3L053769
BDB053769
|
BDBM50352992
Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
|
C25H24N4O2 412.493000 |
UZSXKOWARFWPQC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352992; PubChem:CID44159019
|
Local ready
Direct docking supported
|
|
E3L053770
BDB053770
|
BDBM50352993
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
|
C25H23FN4O2 430.483000 |
UBQLPSKXNJWLLR-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352993; PubChem:CID44159022
|
Local ready
Direct docking supported
|
|
E3L053771
BDB053771
|
BDBM50352994
Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
|
C26H26N4O2 426.520000 |
NQBASSXPLSDNHE-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352994; PubChem:CID56675215
|
Local ready
Direct docking supported
|
|
E3L053772
BDB053772
|
BDBM50352995
Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
|
C26H25FN4O2 444.510000 |
HIIDOAANXPFOOE-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352995; PubChem:CID44194118
|
Local ready
Direct docking supported
|
|
E3L053773
BDB053773
|
BDBM50352996
O=C(c1c(Cc2ccccc2)n(-c2ccccc2)c2cnccc12)N1CCNCC1
|
C25H24N4O 396.494000 |
PJTHHBAJMUYYSM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352996; PubChem:CID44159020
|
Local ready
Direct docking supported
|
|
E3L053774
BDB053774
|
BDBM50352997
COc1cc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2cn1
|
C27H27FN4O2 458.537000 |
CFRKCYMVFQIVSH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352997; PubChem:CID56664903
|
Local ready
Direct docking supported
|
|
E3L053775
BDB053775
|
BDBM50352998
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cl)c2n1-c1ccccc1
|
C25H22ClFN4O2 464.928000 |
UJEJPGBJIHYJAE-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352998; PubChem:CID56678526
|
Local ready
Direct docking supported
|
|
E3L053776
BDB053776
|
BDBM50352999
CCc1nccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c12
|
C27H27FN4O2 458.537000 |
QNQPVTCRZJQXTB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352999; PubChem:CID56671819
|
Local ready
Direct docking supported
|
|
E3L053777
BDB053777
|
BDBM50353000
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cc3ccccc3)c2n1-c1ccccc1
|
C32H29FN4O2 520.608000 |
UIBPLELQTBSRIZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50353000; PubChem:CID53346499
|
Local ready
Direct docking supported
|
|
E3L053778
BDB053778
|
BDBM50353001
Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cl)c2n1-c1ccccc1
|
C26H25ClN4O2 460.965000 |
SMTNTLWNYFUJFU-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50353001; PubChem:CID56657941
|
Local ready
Direct docking supported
|
|
E3L053779
BDB053779
|
BDBM50353002
Cc1c(F)cccc1Cc1nccc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c12
|
C34H32F2N4O 550.653000 |
HRNAWJYGEYBSRZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50353002; PubChem:CID56678527
|
Local ready
Direct docking supported
|
|
E3L053780
BDB053780
|
BDBM50353003
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1
|
C26H25FN4O 428.511000 |
SBBODXSOBKNATM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50353003; PubChem:CID44159021
|
Local ready
Direct docking supported
|