| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042601
BDB042601
|
US12459899, Example 168
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccnc(F)c4)CC3)cc12
|
C23H21F2N3O2 409.436000 |
QSLRHCFHZVIMQS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784076; PubChem:CID156318178
|
Local ready
Direct docking supported
|
|
E3L042602
BDB042602
|
US12459899, Example 170
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CCN(C(=O)C2CCCCC2)CC1
|
C23H28FN3O3 413.493000 |
GGTVQYKAIKCWHZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784077; PubChem:CID156318467
|
Local ready
Direct docking supported
|
|
E3L042603
BDB042603
|
US12459899, Example 171
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc12
|
C24H30FN3O3 427.520000 |
ATKIVTWUBAMDNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784078; PubChem:CID156318463
|
Local ready
Direct docking supported
|
|
E3L042604
BDB042604
|
US12459899, Example 172
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CCN(C(=O)C2CCCCC2)CC1
|
C23H28FN3O3 413.493000 |
APIOAJRYIIMYLQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784079; PubChem:CID156318204
|
Local ready
Direct docking supported
|
|
E3L042605
BDB042605
|
US12459899, Example 173
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc12
|
C24H30FN3O3 427.520000 |
AAFNOUIBFSZEHO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784080; PubChem:CID156318300
|
Local ready
Direct docking supported
|
|
E3L042606
BDB042606
|
US12459899, Example 174
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CCN(C(=O)C2CCCC2)CC1
|
C22H26FN3O3 399.466000 |
JDMWGVMLTCCUJM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784081; PubChem:CID156318260
|
Local ready
Direct docking supported
|
|
E3L042607
BDB042607
|
US12459899, Example 175
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CCCC4)CC3)cc12
|
C23H28FN3O3 413.493000 |
KGCMUWADHSBCKJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784082; PubChem:CID156317967
|
Local ready
Direct docking supported
|
|
E3L042608
BDB042608
|
US12459899, Example 176
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CCN(C(=O)C2CCCC2)CC1
|
C22H26FN3O3 399.466000 |
PGRAYBMWKFRWEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784083; PubChem:CID156318642
|
Local ready
Direct docking supported
|
|
E3L042609
BDB042609
|
US12459899, Example 177
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CCCC4)CC3)cc12
|
C23H28FN3O3 413.493000 |
OPPMJIHXPWCPGL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784084; PubChem:CID156318055
|
Local ready
Direct docking supported
|
|
E3L042610
BDB042610
|
US12459899, Example 178
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CCN(C(=O)C2CCC2)CC1
|
C21H24FN3O3 385.439000 |
PLLLKFCTFYPUAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784085; PubChem:CID156318376
|
Local ready
Direct docking supported
|
|
E3L042611
BDB042611
|
US12459899, Example 179
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CCC4)CC3)cc12
|
C22H26FN3O3 399.466000 |
CZRGEMRLHLTSBK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784086; PubChem:CID156318060
|
Local ready
Direct docking supported
|
|
E3L042612
BDB042612
|
US12459899, Example 180
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CCN(C(=O)C2CCC2)CC1
|
C21H24FN3O3 385.439000 |
MPMJWLRHXRMMHL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784087; PubChem:CID156318340
|
Local ready
Direct docking supported
|
|
E3L042613
BDB042613
|
US12459899, Example 181
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CCC4)CC3)cc12
|
C22H26FN3O3 399.466000 |
JYDVJLNNDBDILA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784088; PubChem:CID156318382
|
Local ready
Direct docking supported
|
|
E3L042614
BDB042614
|
US12459899, Example 182
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CCN(C(=O)C2CC2)CC1
|
C20H22FN3O3 371.412000 |
PKRVEYPAPGFSFW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784089; PubChem:CID156333089
|
Local ready
Direct docking supported
|
|
E3L042615
BDB042615
|
US12459899, Example 184
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CCN(C(=O)C2CC2)CC1
|
C20H22FN3O3 371.412000 |
SHIJJMQUXWBSHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784091; PubChem:CID156318105
|
Local ready
Direct docking supported
|
|
E3L042616
BDB042616
|
US12459899, Example 185
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C4CC4)CC3)cc12
|
C21H24FN3O3 385.439000 |
YMTYJTHIRBQNRQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784092; PubChem:CID156319003
|
Local ready
Direct docking supported
|
|
E3L042617
BDB042617
|
US12459899, Example 186
CC(C)C(=O)N1CCN(C(=O)CCc2cc3cccc(F)c3c(=O)[nH]2)CC1
|
C20H24FN3O3 373.428000 |
AOXBKGRKRQLVQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784093; PubChem:CID156333086
|
Local ready
Direct docking supported
|
|
E3L042618
BDB042618
|
US12459899, Example 187
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C(C)C)CC3)cc12
|
C21H26FN3O3 387.455000 |
GQUAPCSMDGSHLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784094; PubChem:CID156317950
|
Local ready
Direct docking supported
|
|
E3L042619
BDB042619
|
US12459899, Example 188
CC(C)C(=O)N1CCN(C(=O)CCc2cc3ccc(F)cc3c(=O)[nH]2)CC1
|
C20H24FN3O3 373.428000 |
RZVPNBYCIMBQBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784095; PubChem:CID156318021
|
Local ready
Direct docking supported
|
|
E3L042620
BDB042620
|
US12459899, Example 189
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(C(=O)C(C)C)CC3)cc12
|
C21H26FN3O3 387.455000 |
CXDYJAMKAIPDLJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784096; PubChem:CID156317914
|
Local ready
Direct docking supported
|