| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047641
BDB047641
|
BDBM50178216
C[C@@H]1CC(=O)Nc2ccccc2N1
|
C10H12N2O 176.219000 |
BBPWQLMHOSRDMA-SSDOTTSWSA-N | Q09472, Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50178216; PubChem:CID735747
|
Local ready
Direct docking supported
|
|
E3L047642
BDB047642
|
BDBM50178217
CC1CC(=O)Nc2ccccc2N1
|
C10H12N2O 176.219000 |
BBPWQLMHOSRDMA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50178217; PubChem:CID19868
|
Local ready
Direct docking supported
|
|
E3L047643
BDB047643
|
BDBM50178218
C[C@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1
|
C22H22N6O 386.459000 |
BFTKDWYIRJGJCA-ZDUSSCGKSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50178218; PubChem:CID127051477
|
Local ready
Direct docking supported
|
|
E3L047644
BDB047644
|
BDBM50178219
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1
|
C22H22N6O 386.459000 |
BFTKDWYIRJGJCA-CYBMUJFWSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50178219; PubChem:CID121271792
|
Local ready
Direct docking supported
|
|
E3L047645
BDB047645
|
BDBM50178220
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C)c2N1
|
C21H22N4O 346.434000 |
RUOHSEWJRWMCPQ-GFCCVEGCSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50178220; PubChem:CID121271781
|
Local ready
Direct docking supported
|
|
E3L047646
BDB047646
|
BDBM50178221
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C#N)nn4C)c2N1
|
C19H17N5O 331.379000 |
BVGBDKUISALXAL-LLVKDONJSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50178221
|
Local ready
Direct docking supported
|
|
E3L047647
BDB047647
|
BDBM50179054
Cc1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C18H16N2O 276.339000 |
JKAGEJKTPNCSCO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179054; PubChem:CID44408241
|
Local ready
Direct docking supported
|
|
E3L047648
BDB047648
|
BDBM50179055
CN(Cc1ccccn1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C25H22N4O2 410.477000 |
HCKAVZICHGEMCS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179055; PubChem:CID44408203
|
Local ready
Direct docking supported
|
|
E3L047649
BDB047649
|
BDBM50179056
CN(Cc1ccncc1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C25H22N4O2 410.477000 |
MLPQINLLHGRTNQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179056; PubChem:CID44408200
|
Local ready
Direct docking supported
|
|
E3L047650
BDB047650
|
BDBM50179057
COC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C19H16N2O3 320.348000 |
GJJNMUARAIWGLZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179057; PubChem:CID44408243
|
Local ready
Direct docking supported
|
|
E3L047651
BDB047651
|
BDBM50179058
O=C(NCCN1CCOCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C24H26N4O3 418.497000 |
AKXAUEKOTGWTIF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179058; PubChem:CID44408192
|
Local ready
Direct docking supported
|
|
E3L047652
BDB047652
|
BDBM50179059
O=C1NCc2c1c1c(c3[nH]c4ccc(Cl)cc4c23)CCC1
|
C17H13ClN2O 296.757000 |
KPLKXKHWRLQXTB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179059; PubChem:CID44408244
|
Local ready
Direct docking supported
|
|
E3L047653
BDB047653
|
BDBM50179060
O=C(NCCn1ccnn1)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C22H20N6O2 400.442000 |
ZQALAAOOGFVCFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179060; PubChem:CID44408277
|
Local ready
Direct docking supported
|
|
E3L047654
BDB047654
|
BDBM50179061
NCCCCC(N)C(=O)NCc1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C24H29N5O2 419.529000 |
BYWVXVRUERPOIU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179061; PubChem:CID44408373
|
Local ready
Direct docking supported
|
|
E3L047655
BDB047655
|
BDBM50179062
O=C(O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C18H14N2O3 306.321000 |
MRQIYHLHDJXBQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179062; PubChem:CID44408242
|
Local ready
Direct docking supported
|
|
E3L047656
BDB047656
|
BDBM50179063
CN(CCc1cnc[nH]1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C24H23N5O2 413.481000 |
RELCWZCJWRFMJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179063; PubChem:CID44408204
|
Local ready
Direct docking supported
|
|
E3L047657
BDB047657
|
BDBM50179064
N#Cc1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C18H13N3O 287.322000 |
IZNDLEMDWZTYCJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179064; PubChem:CID44408237
|
Local ready
Direct docking supported
|
|
E3L047658
BDB047658
|
BDBM50179065
Cn1c2ccccc2c2c3c(c4c(c21)CCC4)C(=O)NC3
|
C18H16N2O 276.339000 |
MWXVKTKJUITJTR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179065; PubChem:CID9814168
|
Local ready
Direct docking supported
|
|
E3L047659
BDB047659
|
BDBM50179066
CN1Cc2c(c3c(c4c2c2ccccc2n4C)CCC3)C1=O
|
C19H18N2O 290.366000 |
ULXJZPSNENAHKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179066; PubChem:CID44408130
|
Local ready
Direct docking supported
|
|
E3L047660
BDB047660
|
BDBM50179067
CN(C)CCNC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C22H24N4O2 376.460000 |
MRUYFHXBACXFAI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179067; PubChem:CID44408250
|
Local ready
Direct docking supported
|