| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001301
BDB001301
|
Piperidine-1-carboxamide, 21h
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(C)c2)C1
|
C29H49N3O3 487.729000 |
KLQZJOZYDBPUFR-IUAQSZDVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29945; PubChem:CID44143392
|
Local ready
Direct docking supported
|
|
E3L001302
BDB001302
|
Piperidine-1-carboxamide, 21i
CCc1cccc([C@](O)(CCCCOC)[C@@H]2CCCN(C(=O)N[C@H](CNC)CC3CCCCC3)C2)c1
|
C30H51N3O3 501.756000 |
LEUXAAFAIWSYAA-OYKXOOMRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29946; PubChem:CID44143393
|
Local ready
Direct docking supported
|
|
E3L001303
BDB001303
|
Piperidine-1-carboxamide, 21j
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(OC)c2)C1
|
C29H49N3O4 503.728000 |
NDXHJDVLMQJJQL-UWPQIUOOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29947; PubChem:CID44143394
|
Local ready
Direct docking supported
|
|
E3L001304
BDB001304
|
Piperidine-1-carboxamide, 21k
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(F)c2)C1
|
C28H46FN3O3 491.692000 |
JCUPFAYKRRSZKS-MAARLIENSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29948; PubChem:CID44143395
|
Local ready
Direct docking supported
|
|
E3L001305
BDB001305
|
BDBM29949
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1
|
C28H46ClN3O3 508.147000 |
LGUUOHMUYOBFQP-MAARLIENSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29949; PubChem:CID42615261
|
Local ready
Direct docking supported
|
|
E3L001306
BDB001306
|
Piperidine-1-carboxamide, 21m
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Br)c2)C1
|
C28H46BrN3O3 552.598000 |
IMIQDRNXOVJGET-MAARLIENSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29950; PubChem:CID44143396
|
Local ready
Direct docking supported
|
|
E3L001307
BDB001307
|
Piperidine-1-carboxamide, 21n
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(C#N)c2)C1
|
C29H46N4O3 498.712000 |
ONKKEMDBPZGQOS-IUAQSZDVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29951; PubChem:CID44143397
|
Local ready
Direct docking supported
|
|
E3L001308
BDB001308
|
Piperidine-1-carboxamide, 21o
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(C(F)(F)F)c2)C1
|
C29H46F3N3O3 541.699000 |
GEUJKUOGQLWBLE-FULLSBAXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29952; PubChem:CID44143398
|
Local ready
Direct docking supported
|
|
E3L001309
BDB001309
|
Piperidine-1-carboxamide, 21p
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(OC(F)(F)F)c2)C1
|
C29H46F3N3O4 557.698000 |
AXHJCZGHYWZMGU-CERRFVOPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29953; PubChem:CID44143399
|
Local ready
Direct docking supported
|
|
E3L001310
BDB001310
|
Piperidine-1-carboxamide, 21q
CCNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1
|
C29H48ClN3O3 522.174000 |
POOZBAOSQBKQOC-WGHVJBFBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29954; PubChem:CID44143400
|
Local ready
Direct docking supported
|
|
E3L001311
BDB001311
|
Piperidine-1-carboxamide, 21r
COCCCC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](CNCC(F)(F)F)CC2CCCCC2)C1
|
C29H45ClF3N3O3 576.144000 |
LNMXJIRMWPCOCE-MAARLIENSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29955; PubChem:CID44143401
|
Local ready
Direct docking supported
|
|
E3L001312
BDB001312
|
Piperidine-1-carboxamide, 21s
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(F)c2F)C1
|
C28H45F2N3O3 509.682000 |
KHYWUEKCZPTNEY-IWHLBADBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29956; PubChem:CID44143402
|
Local ready
Direct docking supported
|
|
E3L001313
BDB001313
|
BDBM29957
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2F)C1
|
C28H45ClFN3O3 526.137000 |
LBPSWVGVKWEHLP-IWHLBADBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29957; PubChem:CID44143403
|
Local ready
Direct docking supported
|
|
E3L001314
BDB001314
|
Piperidine-1-carboxamide, 21u
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cc(C)ccc2F)C1
|
C29H48FN3O3 505.719000 |
YPAHDVKIEWLVPC-AHPZMPFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29958; PubChem:CID44143404
|
Local ready
Direct docking supported
|
|
E3L001315
BDB001315
|
Piperidine-1-carboxamide, 21v
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cc(F)cc(Cl)c2)C1
|
C28H45ClFN3O3 526.137000 |
JFHNBTGULOSJBJ-ZEZZXZOMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29959; PubChem:CID44143405
|
Local ready
Direct docking supported
|
|
E3L001316
BDB001316
|
BDBM30628
CCCC(C)(O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3C2c2ccc(Cl)cc2)CC1
|
C30H40ClNO4 514.106000 |
POQWQMZNFOMKID-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM30628; PubChem:CID71145846
|
Local ready
Direct docking supported
|
|
E3L001317
BDB001317
|
BDBM30719
CCCCCCC1=Cc2c/c(=C3/NN/C(=C4/C=CC=CC4=O)O3)c(=O)oc2=CC1=O
|
C23H22N2O5 406.438000 |
QALVPQWWFNCZOH-LPFJTETCSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM30719
|
Local ready
Direct docking supported
|
|
E3L001318
BDB001318
|
BDBM30722
CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21
|
C22H18ClN5O 403.873000 |
ABIGPTDIQKRVCS-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM30722; PubChem:CID658797
|
Local ready
Direct docking supported
|
|
E3L001319
BDB001319
|
BDBM30725
COc1ccc(-n2c(NC(=O)c3ccco3)c(C#N)c3nc4ccccc4nc32)cc1
|
C23H15N5O3 409.405000 |
NVEWRZOTEWLEOS-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM30725; PubChem:CID658939
|
Local ready
Direct docking supported
|
|
E3L001320
BDB001320
|
BDBM30762
CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
|
C20H25N5O2 367.453000 |
DNZJXEJASNLKKF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM30762; PubChem:CID662288
|
Local ready
Direct docking supported
|