| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053701
BDB053701
|
BDBM50352904
COc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Oc1c(C)cccc1C)n2C1CCCCC1
|
C27H34N4O3 462.594000 |
JFVNWDPYWXLXMY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352904; PubChem:CID56665266
|
Local ready
Direct docking supported
|
|
E3L053702
BDB053702
|
BDBM50352905
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2c[nH]c(=O)cc2n1-c1ccccc1
|
C26H25FN4O2 444.510000 |
GYNNSHNCWDYJGI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352905; PubChem:CID56658321
|
Local ready
Direct docking supported
|
|
E3L053703
BDB053703
|
BDBM50352906
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2c[nH]c(=O)cc2n1C1CCCCC1
|
C26H31FN4O2 450.558000 |
LYOZSXVXVCFMQB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352906; PubChem:CID56668719
|
Local ready
Direct docking supported
|
|
E3L053704
BDB053704
|
BDBM50352907
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2c[nH]c(=O)cc2n1-c1ccccc1
|
C25H23FN4O3 446.482000 |
IORKATLIJSVWBH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352907; PubChem:CID56678907
|
Local ready
Direct docking supported
|
|
E3L053705
BDB053705
|
BDBM50352908
COc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Oc1cc(F)ccc1C)n2-c1ccccc1
|
C26H25FN4O3 460.509000 |
UTMWQGYUOMAOTA-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352908; PubChem:CID56665265
|
Local ready
Direct docking supported
|
|
E3L053706
BDB053706
|
BDBM50352909
COc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2C1CCCCC1
|
C27H33FN4O2 464.585000 |
ORAQZJSDWMMXBV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352909; PubChem:CID56665264
|
Local ready
Direct docking supported
|
|
E3L053707
BDB053707
|
BDBM50352910
O=C(c1c(Cc2c(F)cccc2Cl)n(-c2ccccc2)c2ccncc12)N1CCNCC1
|
C25H22ClFN4O 448.929000 |
CQCKANIIWHCLDP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352910; PubChem:CID44158909
|
Local ready
Direct docking supported
|
|
E3L053708
BDB053708
|
BDBM50352911
Cc1ccccc1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
|
C26H26N4O 410.521000 |
YYXOBLRWMXSFRI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352911; PubChem:CID44158908
|
Local ready
Direct docking supported
|
|
E3L053709
BDB053709
|
BDBM50352912
O=C(c1c(Cc2ccccc2)n(-c2ccccc2)c2ccncc12)N1CCNCC1
|
C25H24N4O 396.494000 |
ZGFQKPLRSCUGKG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352912; PubChem:CID44158907
|
Local ready
Direct docking supported
|
|
E3L053710
BDB053710
|
BDBM50352913
Cc1c(F)cc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
|
C25H22F2N4O2 448.473000 |
KCNCOEDICAEBKM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352913; PubChem:CID56675581
|
Local ready
Direct docking supported
|
|
E3L053711
BDB053711
|
BDBM50352914
Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
|
C25H23FN4O2 430.483000 |
MPYQQGSSQREHPC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352914; PubChem:CID56665263
|
Local ready
Direct docking supported
|
|
E3L053712
BDB053712
|
BDBM50352915
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
|
C25H23FN4O2 430.483000 |
LDCODRLKXBCZOO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352915; PubChem:CID44158906
|
Local ready
Direct docking supported
|
|
E3L053713
BDB053713
|
BDBM50352916
Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1
|
C25H24N4O2 412.493000 |
ORUHPWOPDTWXMU-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352916; PubChem:CID56661826
|
Local ready
Direct docking supported
|
|
E3L053714
BDB053714
|
BDBM50352917
CCCc1ccnc2c1c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2-c1ccccc1
|
C29H31FN4O 470.592000 |
HCHHKVCPWIBETD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352917; PubChem:CID56672195
|
Local ready
Direct docking supported
|
|
E3L053715
BDB053715
|
BDBM50352918
CCCc1ccnc2c1c(C(=O)N1CCNCC1)c(Oc1c(C)cccc1C)n2-c1ccccc1
|
C29H32N4O2 468.601000 |
YXTSVRJJSDKPBM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352918; PubChem:CID56682223
|
Local ready
Direct docking supported
|
|
E3L053716
BDB053716
|
BDBM50352919
CCCc1ccnc2c1c(C(=O)N1CCNCC1)c(Oc1cc(F)ccc1C)n2-c1ccccc1
|
C28H29FN4O2 472.564000 |
YEYFUMWNQOEBOO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352919; PubChem:CID56678906
|
Local ready
Direct docking supported
|
|
E3L053717
BDB053717
|
BDBM50352920
CCc1ccnc2c1c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2-c1ccccc1
|
C28H29FN4O 456.565000 |
FEQNTRIAFPQKEF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352920; PubChem:CID56672194
|
Local ready
Direct docking supported
|
|
E3L053718
BDB053718
|
BDBM50352921
CCc1ccnc2c1c(C(=O)N1CCNCC1)c(Oc1cc(F)ccc1C)n2-c1ccccc1
|
C27H27FN4O2 458.537000 |
PNQJBYVCKZISRC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352921; PubChem:CID56682222
|
Local ready
Direct docking supported
|
|
E3L053719
BDB053719
|
BDBM50352922
COc1ccc2c(C(=O)N3CCNCC3)c(Oc3c(C)cccc3C)n(-c3ccccc3)c2n1
|
C27H28N4O3 456.546000 |
UTIAQHRNBZVNAX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352922; PubChem:CID53387671
|
Local ready
Direct docking supported
|
|
E3L053720
BDB053720
|
BDBM50352923
COc1ccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2n1
|
C26H25FN4O3 460.509000 |
IKWFGNJJSNUOSY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352923; PubChem:CID56665262
|
Local ready
Direct docking supported
|