| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047141
BDB047141
|
BDBM50164212
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C)(CC)C(=O)O
|
C19H24F3NO4 387.398000 |
JJPUBDOPZUUOMU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50164212; PubChem:CID10110745
|
Local ready
Direct docking supported
|
|
E3L047142
BDB047142
|
BDBM50164213
CCCc1cc(C(=O)CC)cc(CCC)c1OC(C)(C)C(=O)O
|
C19H28O4 320.429000 |
AMJNHPNJKQXGKK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50164213; PubChem:CID11186282
|
Local ready
Direct docking supported
|
|
E3L047143
BDB047143
|
BDBM50164214
CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C)C(=O)O
|
C17H20F3NO4 359.344000 |
FQVCFJZTNNIPMH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50164214; PubChem:CID9924989
|
Local ready
Direct docking supported
|
|
E3L047144
BDB047144
|
BDBM50164770
CN1CCN(c2ccc(-c3cnc4ccccc4c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C27H24F3N5O2 507.516000 |
BHSUCGLRVZHATB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164770; PubChem:CID76871930
|
Local ready
Direct docking supported
|
|
E3L047145
BDB047145
|
BDBM50164773
CN1CCN(c2ccc(-c3ccc(N)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C24H24F3N5O2 471.483000 |
SSJVLCZVKGGJJO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164773; PubChem:CID127047790
|
Local ready
Direct docking supported
|
|
E3L047146
BDB047146
|
BDBM50164785
CN1CCN(c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C27H32F3N7O3 559.593000 |
YKVQAEICJDUVNC-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164785; PubChem:CID127047791
|
Local ready
Direct docking supported
|
|
E3L047147
BDB047147
|
BDBM50164786
Cc1cccc(C(=O)Nc2cc(-c3cnc4ccccc4c3)ccc2N2CCN(C)CC2)c1
|
C28H28N4O 436.559000 |
SGTMEYAZQRHDJV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164786; PubChem:CID91995965
|
Local ready
Direct docking supported
|
|
E3L047148
BDB047148
|
BDBM50164787
CC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@](C)(NC(=O)C(C)C)CCCCNC(=O)[C@@H](c2ccccc2)NC1=O
|
C29H46N8O5 586.738000 |
SILRGLDFBXVGOQ-ZMROOPMESA-N | P61964, Q03164, Q15291 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50164787; PubChem:CID71586081
|
Local ready
Direct docking supported
|
|
E3L047149
BDB047149
|
BDBM50164788
Cc1cc(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1
|
C20H24N4O3 368.437000 |
GJFKROIMAOLXMH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164788; PubChem:CID127045996
|
Local ready
Direct docking supported
|
|
E3L047150
BDB047150
|
BDBM50164789
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc(C)c1F
|
C20H23FN4O3 386.427000 |
WNRFCVFYUVINJG-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164789; PubChem:CID127046421
|
Local ready
Direct docking supported
|
|
E3L047151
BDB047151
|
BDBM50164790
Cc1c(F)c(C)c(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1F
|
C20H21F3N4O3 422.407000 |
YVCXIHVVYPEYGI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164790; PubChem:CID127048151
|
Local ready
Direct docking supported
|
|
E3L047152
BDB047152
|
BDBM50164791
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C18H18F3N5O4 425.367000 |
LXARWAORRXUDTM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164791; PubChem:CID127048152
|
Local ready
Direct docking supported
|
|
E3L047153
BDB047153
|
BDBM50164792
CN1CCN(c2ccc(-c3ccc4c(c3)CCO4)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C26H25F3N4O3 498.505000 |
UAMABNCJOIOIEH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164792; PubChem:CID127046290
|
Local ready
Direct docking supported
|
|
E3L047154
BDB047154
|
BDBM50164793
CN1CCN(c2ccc(-c3ccc4[nH]ccc4c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C26H24F3N5O2 495.505000 |
YQJXVMGEVOIIMV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164793; PubChem:CID127046291
|
Local ready
Direct docking supported
|
|
E3L047155
BDB047155
|
Oicr-9429
CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C29H32F3N5O3 555.601000 |
DJOVLOYCGXNVPI-UHFFFAOYSA-N | P61964, Q03164, Q15291, Q969U6 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50164794; PubChem:CID91623360
|
Local ready
Direct docking supported
|
|
E3L047156
BDB047156
|
BDBM50164795
CC(=O)Nc1ccc(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c2)cn1
|
C25H25F3N6O3 514.508000 |
OJAXIKLEQGASLZ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164795; PubChem:CID127046292
|
Local ready
Direct docking supported
|
|
E3L047157
BDB047157
|
BDBM50164796
CN1CCN(c2ccc(-c3ccc(N)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
|
C23H23F3N6O2 472.471000 |
QAFVKRAWTPAXFL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50164796; PubChem:CID127047789
|
Local ready
Direct docking supported
|
|
E3L047158
BDB047158
|
BDBM50165471
O=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)C1CC1
|
C19H17N3O2 319.364000 |
DZEPNNZXCOUGMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165471; PubChem:CID44402292
|
Local ready
Direct docking supported
|
|
E3L047159
BDB047159
|
BDBM50165472
O=c1[nH]nc(Cc2ccc(Cl)c(-n3c(O)ccc3O)c2)c2ccccc12
|
C19H14ClN3O3 367.792000 |
FGXBXMVDNXLWOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165472; PubChem:CID91249844
|
Local ready
Direct docking supported
|
|
E3L047160
BDB047160
|
BDBM50165473
CC(C)C(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C19H19N3O2 321.380000 |
KFFKUYNFVPMIMS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50165473; PubChem:CID44402097
|
Local ready
Direct docking supported
|