| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056141
BDB056141
|
BDBM50437214
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccn(CC(C)(C)O)n2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
|
C30H33Cl2F2N5O2 604.529000 |
JQWUVUMPMKZGMR-SYRFEWCISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50437214
|
Local ready
Direct docking supported
|
|
E3L056142
BDB056142
|
BDBM50437215
CC(C)(C)C[C@@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
|
C27H31Cl2F2N3O3 554.465000 |
MSOWFEGZEMCNQZ-UIHIWPSYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50437215; PubChem:CID59249286
|
Local ready
Direct docking supported
|
|
E3L056143
BDB056143
|
BDBM50437216
CC(C)(C)C[C@@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]1(C#N)c1ccc(Cl)cc1
|
C27H33Cl2N3O3 518.485000 |
ZSZGGSIFAMXPIG-CPASSRBFSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50437216; PubChem:CID45139212
|
Local ready
Direct docking supported
|
|
E3L056144
BDB056144
|
BDBM50437236
NC1CCC(Nc2nc(NCc3ccc(-c4ccccc4O)nc3)c3ncn(C4CCCC4)c3n2)CC1
|
C28H34N8O 498.635000 |
UVKLAINVJNUJNX-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50437236; PubChem:CID136219283
|
Local ready
Direct docking supported
|
|
E3L056145
BDB056145
|
BDBM50437505
Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
|
C22H20FN7O3 449.446000 |
HSKISFLIRPOYCF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50437505; PubChem:CID25123227
|
Local ready
Direct docking supported
|
|
E3L056146
BDB056146
|
BDBM50437506
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)c2)n(C)n1
|
C23H21N5O3S 447.520000 |
WFMSTKDUQUETMD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50437506; PubChem:CID25128181
|
Local ready
Direct docking supported
|
|
E3L056147
BDB056147
|
BDBM50437507
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1
|
C22H20N6O3S 448.508000 |
ZSWBFDGBEZTJRY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50437507; PubChem:CID25128180
|
Local ready
Direct docking supported
|
|
E3L056148
BDB056148
|
BDBM50437508
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c2)n(C)n1
|
C23H22N6O3 430.468000 |
UYWCBKUMESQOKL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50437508; PubChem:CID25127854
|
Local ready
Direct docking supported
|
|
E3L056149
BDB056149
|
BDBM50437509
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1
|
C22H21N7O3 431.456000 |
XYJONLOLMGUYBZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50437509; PubChem:CID25127856
|
Local ready
Direct docking supported
|
|
E3L056150
BDB056150
|
Vialinin A
O=C(Cc1ccccc1)Oc1c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1
|
C34H26O8 562.574000 |
NOJUKCRPSUMHQQ-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50437693; PubChem:CID11563133
|
Local ready
Direct docking supported
|
|
E3L056151
BDB056151
|
Degrasyn
CCC[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
|
C19H18BrN3O 384.277000 |
LIDOPKHSVQTSJY-VMEIHUARSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50437695; PubChem:CID11222830
|
Local ready
Direct docking supported
|
|
E3L056152
BDB056152
|
BDBM50437841
COc1ccc2c(c1)/C(=C\c1ccc3c(/C=C/c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2
|
C29H28N6O2 492.583000 |
GBUDRABUNBYJKG-WWAWLHJKSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50437841
|
Local ready
Direct docking supported
|
|
E3L056153
BDB056153
|
BDBM50438230
CCOc1cc(CN2CCN(c3ccc(C(=O)NC4CC4)cc3C)CC2)cc2c1OC(C)C(=O)N2
|
C27H34N4O4 478.593000 |
OHMYSVJORRMTHQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438230; PubChem:CID66716876
|
Local ready
Direct docking supported
|
|
E3L056154
BDB056154
|
BDBM50438231
CCNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OCC)c3)OC(C)C(=O)N4)CC2)c(C)c1
|
C26H34N4O4 466.582000 |
LRYGOSVXEZTIKJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438231; PubChem:CID66716854
|
Local ready
Direct docking supported
|
|
E3L056155
BDB056155
|
BDBM50438232
CCOc1cc(CN2CCN(c3ccc(C(=O)NC)cc3C)CC2)cc2c1OC(C)C(=O)N2
|
C25H32N4O4 452.555000 |
JSXWZGIORINZQT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438232; PubChem:CID66716932
|
Local ready
Direct docking supported
|
|
E3L056156
BDB056156
|
BDBM50438233
COc1cc(CN2CCN(c3ccc(C(=O)NC4CC4)cc3C)CC2)cc2c1OC(C)C(=O)N2
|
C26H32N4O4 464.566000 |
YNLLQEVBYODKND-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438233; PubChem:CID66716949
|
Local ready
Direct docking supported
|
|
E3L056157
BDB056157
|
BDBM50438234
CCNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)OC(C)C(=O)N4)CC2)c(C)c1
|
C25H32N4O4 452.555000 |
KYBWYVRJCBHOGL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438234; PubChem:CID66716800
|
Local ready
Direct docking supported
|
|
E3L056158
BDB056158
|
BDBM50438235
CNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)OC(C)C(=O)N4)CC2)c(C)c1
|
C24H30N4O4 438.528000 |
RYIVIHMEZGCXHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438235; PubChem:CID66717219
|
Local ready
Direct docking supported
|
|
E3L056159
BDB056159
|
BDBM50438236
Cc1cc(C(=O)NC2CC2)ccc1N1CCN(Cc2cc(C)c3c(c2)NC(=O)C(C)O3)CC1
|
C26H32N4O3 448.567000 |
FTXDIDQGGXAUGE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438236; PubChem:CID66717208
|
Local ready
Direct docking supported
|
|
E3L056160
BDB056160
|
BDBM50438237
CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C(C)O4)CC2)c(C)c1
|
C25H32N4O3 436.556000 |
NDPXSBJMMOJZHP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438237; PubChem:CID66716805
|
Local ready
Direct docking supported
|