| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053721
BDB053721
|
BDBM50352924
COc1cnc2c(c1)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2-c1ccccc1
|
C27H27FN4O2 458.537000 |
XHDCGEFSIZPOAO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352924; PubChem:CID56661825
|
Local ready
Direct docking supported
|
|
E3L053722
BDB053722
|
BDBM50352925
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1
|
C26H25FN4O 428.511000 |
QNKUTFXXLHMLSS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352925; PubChem:CID56675580
|
Local ready
Direct docking supported
|
|
E3L053723
BDB053723
|
BDBM50352926
O=C(c1c(Cc2ccccc2)n(-c2ccccc2)c2ncccc12)N1CCNCC1
|
C25H24N4O 396.494000 |
DAIXTEOAJVXVHZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352926; PubChem:CID56661824
|
Local ready
Direct docking supported
|
|
E3L053724
BDB053724
|
BDBM50352927
Cc1c(F)cc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1
|
C25H22F2N4O2 448.473000 |
MKTMQFYFWHFMOG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352927; PubChem:CID56668718
|
Local ready
Direct docking supported
|
|
E3L053725
BDB053725
|
BDBM50352928
Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1
|
C25H23FN4O2 430.483000 |
JVHGQRPZNPTLKM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352928; PubChem:CID56661823
|
Local ready
Direct docking supported
|
|
E3L053726
BDB053726
|
BDBM50352929
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1
|
C25H23FN4O2 430.483000 |
FGXWBCNBIGDNMX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352929; PubChem:CID56661822
|
Local ready
Direct docking supported
|
|
E3L053727
BDB053727
|
BDBM50352950
Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C25H24N4O2 412.493000 |
BQGVETYFBZWWQW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352950; PubChem:CID44158681
|
Local ready
Direct docking supported
|
|
E3L053728
BDB053728
|
BDBM50352951
Cc1ccc(C)c(Oc2c(C(=O)N3CCNCC3)c3ncccc3n2-c2ccccc2)c1
|
C26H26N4O2 426.520000 |
MIBPTBOQIKZVOD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352951; PubChem:CID56678778
|
Local ready
Direct docking supported
|
|
E3L053729
BDB053729
|
BDBM50352952
O=C(c1c(Oc2ccccc2F)n(-c2ccccc2)c2cccnc12)N1CCNCC1
|
C24H21FN4O2 416.456000 |
DXTWLJAJRHALSB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352952; PubChem:CID56678779
|
Local ready
Direct docking supported
|
|
E3L053730
BDB053730
|
BDBM50352953
O=C(c1c(Oc2cccc(F)c2F)n(-c2ccccc2)c2cccnc12)N1CCNCC1
|
C24H20F2N4O2 434.446000 |
KFTUBWMKGILUGV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352953; PubChem:CID56672055
|
Local ready
Direct docking supported
|
|
E3L053731
BDB053731
|
BDBM50352954
O=C(c1c(Oc2cc(F)ccc2F)n(-c2ccccc2)c2cccnc12)N1CCNCC1
|
C24H20F2N4O2 434.446000 |
MIRBWZLNJHIWSD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352954; PubChem:CID56678780
|
Local ready
Direct docking supported
|
|
E3L053732
BDB053732
|
BDBM50352955
Cc1cccc(F)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C25H23FN4O2 430.483000 |
UQSWCPMLYWOWOD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352955; PubChem:CID44158794
|
Local ready
Direct docking supported
|
|
E3L053733
BDB053733
|
BDBM50352956
Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C25H23FN4O2 430.483000 |
WGBJLWOTOSXBKH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352956; PubChem:CID44158793
|
Local ready
Direct docking supported
|
|
E3L053734
BDB053734
|
BDBM50352957
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C25H23FN4O2 430.483000 |
HDEHLTZZFKVMQF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352957; PubChem:CID44158792
|
Local ready
Direct docking supported
|
|
E3L053735
BDB053735
|
BDBM50352958
O=C(c1c(Oc2cc(F)ccc2Cl)n(-c2ccccc2)c2cccnc12)N1CCNCC1
|
C24H20ClFN4O2 450.901000 |
NYWCANYSFKVUNN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352958; PubChem:CID56675442
|
Local ready
Direct docking supported
|
|
E3L053736
BDB053736
|
BDBM50352959
Cc1cc(F)c(F)cc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C25H22F2N4O2 448.473000 |
IMLAHPDZDQJWEN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352959; PubChem:CID56668561
|
Local ready
Direct docking supported
|
|
E3L053737
BDB053737
|
BDBM50352960
Cc1c(F)cc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C25H22F2N4O2 448.473000 |
LIMOPKQJPURYKV-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352960; PubChem:CID56665114
|
Local ready
Direct docking supported
|
|
E3L053738
BDB053738
|
BDBM50352961
Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C26H26N4O2 426.520000 |
FPFMCMNHOVBMLD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352961; PubChem:CID56665115
|
Local ready
Direct docking supported
|
|
E3L053739
BDB053739
|
BDBM50352962
Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C26H25FN4O2 444.510000 |
DLUGZHBBRDGBME-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352962; PubChem:CID54753101
|
Local ready
Direct docking supported
|
|
E3L053740
BDB053740
|
BDBM50352963
Cc1cccc(C)c1Sc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
|
C26H26N4OS 442.588000 |
JMWORWQLZQVPDR-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50352963; PubChem:CID56675443
|
Local ready
Direct docking supported
|