| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050981
BDB050981
|
Remerin
CN1CCc2cc3c(c4c2C1Cc1ccccc1-4)OCO3
|
C18H17NO2 279.339000 |
JCTYWRARKVGOBK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50284797; PubChem:CID235224
|
Local ready
Direct docking supported
|
|
E3L050982
BDB050982
|
Pevonedistat
NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O
|
C21H25N5O4S 443.529000 |
MPUQHZXIXSTTDU-QXGSTGNESA-N | Q15843 | Ubiquitin-like protein NEDD8 |
BindingDB, PubChem
BindingDB:BDBM50285607; PubChem:CID16720766
|
Local ready
Direct docking supported
|
|
E3L050983
BDB050983
|
BDBM50285791
CSC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)[C@@H](O)[C@@H](O)CC(C)C
|
C26H36N2O4S 472.651000 |
BKQMICVDRKWDRF-OJJQZRKESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50285791; PubChem:CID44322122
|
Local ready
Direct docking supported
|
|
E3L050984
BDB050984
|
BDBM50285792
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H52N4O6S 632.868000 |
KLFQGGGSRXYUFY-VFFRCKCKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50285792
|
Local ready
Direct docking supported
|
|
E3L050985
BDB050985
|
BDBM50285793
CSC[C@H](NC(=O)CNC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)CC(C)C
|
C26H40N4O6S 536.695000 |
MYZXJNWXVKFNPD-GRSYGWAWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50285793; PubChem:CID44322329
|
Local ready
Direct docking supported
|
|
E3L050986
BDB050986
|
BDBM50285794
CSC[C@H](NC(=O)CNC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](Cc1cccc(-c2ccccc2)c1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H44N4O6S 612.793000 |
YNGVVKLGMYKKKA-VNDOHOEKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50285794
|
Local ready
Direct docking supported
|
|
E3L050987
BDB050987
|
BDBM50285795
CSC[C@H](NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C20H38N2O4S 402.601000 |
ZPVUXLLIQDWFBK-CADBVGFASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50285795; PubChem:CID44322416
|
Local ready
Direct docking supported
|
|
E3L050988
BDB050988
|
BDBM50285796
CSC[C@H](NC(=O)CNC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H44N4O6S 612.793000 |
VBIXDXJWAIXPGZ-VNDOHOEKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50285796
|
Local ready
Direct docking supported
|
|
E3L050989
BDB050989
|
BDBM50285797
CSC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cccc(-c2ccccc2)c1)[C@@H](O)[C@@H](O)CC(C)C
|
C26H36N2O4S 472.651000 |
TVECITLFQKJFNC-OJJQZRKESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50285797; PubChem:CID44322106
|
Local ready
Direct docking supported
|
|
E3L050990
BDB050990
|
BDBM50285798
CSC[C@H](NC(=O)CNC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](Cc1ccc(Oc2ccccc2)cc1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H44N4O7S 628.792000 |
IDXYOZNTCOWYTI-VNDOHOEKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50285798
|
Local ready
Direct docking supported
|
|
E3L050991
BDB050991
|
BDBM50285799
CSC[C@H](NC(=O)CNC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C26H46N4O6S 542.743000 |
GQKLQWSZCUFPAB-GRSYGWAWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50285799
|
Local ready
Direct docking supported
|
|
E3L050992
BDB050992
|
3-[2-(3-chlorophenyl)-1H-indol-5-yl]propanoic acid
O=C(O)CCc1ccc2[nH]c(-c3cccc(Cl)c3)cc2c1
|
C17H14ClNO2 299.757000 |
KDGMDAKBNWXSMK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50286277; PubChem:CID142738567
|
Local ready
Direct docking supported
|
|
E3L050993
BDB050993
|
3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid
O=C(O)CCc1ccc2[nH]c(-c3cccc(Br)c3)cc2c1
|
C17H14BrNO2 344.208000 |
BWOSBFYXQXJNFR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50286278; PubChem:CID142738569
|
Local ready
Direct docking supported
|
|
E3L050994
BDB050994
|
BDBM50286281
Cc1ncccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1
|
C17H16N2O2 280.327000 |
IHKPYHLINVJCBZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50286281; PubChem:CID142738546
|
Local ready
Direct docking supported
|
|
E3L050995
BDB050995
|
BDBM50286423
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(F)(F)F)C1=O
|
C25H25F3N4O5 518.492000 |
LDPBOBQZOFLMLU-IZHWHUGBSA-N | Q09472, Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50286423; PubChem:CID145952357
|
Local ready
Direct docking supported
|
|
E3L050996
BDB050996
|
BDBM50286424
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C2CC2)C(F)(F)F)C1=O
|
C27H27F3N4O5 544.530000 |
SGNUOADKIKQBIW-ATIYNZHBSA-N | Q09472, Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50286424
|
Local ready
Direct docking supported
|
|
E3L050997
BDB050997
|
BDBM50286457
CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O
|
C26H28N4O3 444.535000 |
JHUDBMMZTGBDJG-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50286457; PubChem:CID47009782
|
Local ready
Direct docking supported
|
|
E3L050998
BDB050998
|
BDBM50286458
CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3cc(CO)ccc32)C1=O
|
C26H29N3O4 447.535000 |
VYYXMRNGLDORDI-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50286458; PubChem:CID118957780
|
Local ready
Direct docking supported
|
|
E3L050999
BDB050999
|
BDBM50286459
CNC(=O)Nc1ccc2c(c1)CC[C@]21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O
|
C27H31N5O4 489.576000 |
LVVCZEJBVPEPGJ-SOKVYYICSA-N | Q09472, Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50286459; PubChem:CID118957929
|
Local ready
Direct docking supported
|
|
E3L051000
BDB051000
|
BDBM50286460
Cc1ccccc1C1NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O
|
C24H27N3O3 405.498000 |
XNHDBPISTSFGJY-LBOXEOMUSA-N | Q09472, Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50286460; PubChem:CID118962227
|
Local ready
Direct docking supported
|