| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044081
BDB044081
|
BDBM50020726
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2ncnn12
|
C22H17N5 351.413000 |
INEKPXOCFZWGNJ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020726; PubChem:CID136044100
|
Local ready
Direct docking supported
|
|
E3L044082
BDB044082
|
BDBM50020727
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2c(C#N)cnn12
|
C24H17N5 375.435000 |
MXIJUGWISQCVAH-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020727; PubChem:CID136044101
|
Local ready
Direct docking supported
|
|
E3L044083
BDB044083
|
3-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1,2-oxazole
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccon1
|
C20H16N2O 300.361000 |
BENCEUOHQDHYFG-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020728; PubChem:CID136044102
|
Local ready
Direct docking supported
|
|
E3L044084
BDB044084
|
BDBM50020729
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnn1-c1ccccc1
|
C26H21N3 375.475000 |
WYLKUWDDNHLOTA-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020729; PubChem:CID136044103
|
Local ready
Direct docking supported
|
|
E3L044085
BDB044085
|
BDBM50021129
C[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
|
C18H24N2O5 348.399000 |
LZFZMUMEGBBDTC-JDLVMGNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50021129; PubChem:CID13105154
|
Local ready
Direct docking supported
|
|
E3L044086
BDB044086
|
BDBM50021616
COc1c(O)ccc2c(=O)c3c(O)cc4c(c3[nH]c12)C=CC(C)(C)O4
|
C19H17NO5 339.347000 |
COUZVMMRGYONAQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50021616; PubChem:CID86765296
|
Local ready
Direct docking supported
|
|
E3L044087
BDB044087
|
BDBM50021618
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(-c4cccc(Cl)c4)cn32)C2CCCCC2)CC1
|
C28H38ClN5O2 512.098000 |
UKZRGBUTBINTPD-LOSJGSFVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50021618; PubChem:CID71547862
|
Local ready
Direct docking supported
|
|
E3L044088
BDB044088
|
BDBM50021626
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(-c3ccsc3)cn21
|
C18H23N3O2S 345.468000 |
PNMQDIXULZYDDT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50021626; PubChem:CID90645194
|
Local ready
Direct docking supported
|
|
E3L044089
BDB044089
|
BDBM50021658
COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
|
C23H20N4O4 416.437000 |
ZWUCWBYYVLQXEP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50021658; PubChem:CID72771106
|
Local ready
Direct docking supported
|
|
E3L044090
BDB044090
|
Ac-His-Pro-Phe-His-ACHPA-Leu-Phe-NH2
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C54H74N12O9 1035.261000 |
NPYRCTHITOIVLV-VEUFVCKOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50021989; PubChem:CID44291252
|
Local ready
Direct docking supported
|
|
E3L044091
BDB044091
|
Pro-His-Pro-Phe-His-Statine-Val-Tyr-NH2
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C
|
C59H84N14O12 1181.407000 |
AACGSANRMWSOFJ-VOSVLFMFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022000; PubChem:CID73351709
|
Local ready
Direct docking supported
|
|
E3L044092
BDB044092
|
Ac-His-D-Pro-Phe-Val-Sta-Leu-Phe-NH2
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C
|
C50H72N10O9 957.187000 |
MMZOSDMFRSWCAY-KMVXVDKCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022002; PubChem:CID44291312
|
Local ready
Direct docking supported
|
|
E3L044093
BDB044093
|
Ac-His-Pro-Phe-His-Statine-Leu-Phe-NH2
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C51H70N12O9 995.196000 |
SBISAPJFLPILLA-ZUVHIXNHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022005; PubChem:CID44291388
|
Local ready
Direct docking supported
|
|
E3L044094
BDB044094
|
BDBM50022007
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C
|
C53H76N10O9 997.252000 |
BVXFMIRBKJJPOW-QSQFVUOQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022007
|
Local ready
Direct docking supported
|
|
E3L044095
BDB044095
|
BDBM50022030
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(CN=C(N)N)c1
|
C43H64N10O7 833.048000 |
APGABOCHNPKHDM-QQUXTKCMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022030
|
Local ready
Direct docking supported
|
|
E3L044096
BDB044096
|
BDBM50022031
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCS(=O)(=O)O
|
C36H57N7O10S 779.958000 |
PBTWZOFMDLMSBT-XOYGGWQXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022031
|
Local ready
Direct docking supported
|
|
E3L044097
BDB044097
|
BDBM50022032
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1
|
C40H58N8O7 762.953000 |
WFOVKVGGLBZBPE-OMUSJNLJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022032
|
Local ready
Direct docking supported
|
|
E3L044098
BDB044098
|
BDBM50022033
CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN)c1
|
C45H66N8O7 831.072000 |
QIGZLJVYYYXMIH-WRVQWQNJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022033
|
Local ready
Direct docking supported
|
|
E3L044099
BDB044099
|
BDBM50022034
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(OCC(=O)O)c1
|
C43H61N7O10 836.000000 |
NESGNQWWRZOIPE-QQUXTKCMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022034
|
Local ready
Direct docking supported
|
|
E3L044100
BDB044100
|
BDBM50022035
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCN
|
C36H58N8O7 714.909000 |
KXKATHUXLQOZQK-XOYGGWQXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022035
|
Local ready
Direct docking supported
|