| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062381
BDB062381
|
BDBM50601192
COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2c(C)cccc21
|
C22H31N3O3 385.508000 |
SDQAXCBONYOUCY-HXUWFJFHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601192; PubChem:CID59494323
|
Local ready
Direct docking supported
|
|
E3L062382
BDB062382
|
BDBM50601193
COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2cc(C)ccc21
|
C22H31N3O3 385.508000 |
VZSAXEDJYZPWBQ-OAQYLSRUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601193; PubChem:CID59494896
|
Local ready
Direct docking supported
|
|
E3L062383
BDB062383
|
BDBM50601194
COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)cc21
|
C22H31N3O3 385.508000 |
IPWYLXUUEWIMPI-OAQYLSRUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601194; PubChem:CID59494958
|
Local ready
Direct docking supported
|
|
E3L062384
BDB062384
|
BDBM50601195
COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2cccc(C)c21
|
C22H31N3O3 385.508000 |
WHHDTGKXHAZDKM-HXUWFJFHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601195; PubChem:CID59494921
|
Local ready
Direct docking supported
|
|
E3L062385
BDB062385
|
BDBM50601196
COCCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21
|
C21H29N3O3 371.481000 |
OHELVELDNLQVJI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601196; PubChem:CID59494486
|
Local ready
Direct docking supported
|
|
E3L062386
BDB062386
|
BDBM50601197
COCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21
|
C20H27N3O3 357.454000 |
GGYDHVKNCKPEON-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601197; PubChem:CID59494775
|
Local ready
Direct docking supported
|
|
E3L062387
BDB062387
|
BDBM50601198
COCCCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21
|
C22H31N3O3 385.508000 |
ZHUYJZKQBPLPDK-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601198; PubChem:CID59494316
|
Local ready
Direct docking supported
|
|
E3L062388
BDB062388
|
BDBM50601199
COC(=O)CCCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21
|
C23H31N3O4 413.518000 |
SXRBQNWADWXMHL-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601199; PubChem:CID59494706
|
Local ready
Direct docking supported
|
|
E3L062389
BDB062389
|
BDBM50601200
COC(=O)NCCCn1cc(CN(C(=O)C2CNCCO2)C2CC2)c2ccccc21
|
C22H30N4O4 414.506000 |
NIPWZZBPFRFZBX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50601200; PubChem:CID59494166
|
Local ready
Direct docking supported
|
|
E3L062390
BDB062390
|
BDBM50601440
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cnn(C)c1
|
C21H23N7O 389.463000 |
IALDYVNFZAPNJV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50601440; PubChem:CID134284285
|
Local ready
Direct docking supported
|
|
E3L062391
BDB062391
|
BDBM50601466
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
|
C33H35N3O5 553.659000 |
TXTXUJCZFZSISJ-RRPNLBNLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50601466; PubChem:CID168271936
|
Local ready
Direct docking supported
|
|
E3L062392
BDB062392
|
BDBM50601467
CC(C)C[C@H](NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O
|
C31H31N3O5 525.605000 |
GHMATVSBVUMZAE-LOSJGSFVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50601467; PubChem:CID168270689
|
Local ready
Direct docking supported
|
|
E3L062393
BDB062393
|
BDBM50601468
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12
|
C34H34N4O5S 610.736000 |
BDYNTWOCTIWVBG-WUFINQPMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50601468; PubChem:CID168275083
|
Local ready
Direct docking supported
|
|
E3L062394
BDB062394
|
BDBM50601515
CN1CCN(c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H32F3N5O3 555.601000 |
GQTXDUXACYMXPD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50601515; PubChem:CID168289697
|
Local ready
Direct docking supported
|
|
E3L062395
BDB062395
|
WDR5 ligand 2
CN1CCN(c2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H31F3N4O4 556.585000 |
HATZDQFMULXBFB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50601516; PubChem:CID168277961
|
Local ready
Direct docking supported
|
|
E3L062396
BDB062396
|
BDBM50601517
CN1CCN(c2ccc(-c3ccc(C(=O)NCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C42H41F3N8O8 842.832000 |
CCAKBASGLWLWPO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601517
|
Local ready
Direct docking supported
|
|
E3L062397
BDB062397
|
BDBM50601518
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1
|
C52H60F3N9O8S 1028.168000 |
WZJUOFSNOKPRHG-BQGOKDIQSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601518
|
Local ready
Direct docking supported
|
|
E3L062398
BDB062398
|
BDBM50601519
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1
|
C50H56F3N9O7S 984.115000 |
YOILXXMNXUOXLA-HOPMZIQWSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601519
|
Local ready
Direct docking supported
|
|
E3L062399
BDB062399
|
BDBM50601520
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1
|
C51H58F3N9O7S 998.142000 |
KFCLTULBYCCZBG-LTJJNQLXSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50601520
|
Local ready
Direct docking supported
|
|
E3L062400
BDB062400
|
Homer
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)c2ccc(-c3ccc(N4CCN(C)CC4)c(NC(=O)c4c[nH]c(=O)cc4C(F)(F)F)c3)cc2)C(C)(C)C)cc1
|
C52H60F3N9O7S 1012.169000 |
OFNZESNEBSQKSE-BQGOKDIQSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50601521; PubChem:CID157049306
|
Local ready
Direct docking supported
|