| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042541
BDB042541
|
US12459899, Example 105
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CCN(c2ccc(Cl)cc2)CC1
|
C22H21ClFN3O2 413.880000 |
WEVYVTYBPWJVDN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784013; PubChem:CID156318199
|
Local ready
Direct docking supported
|
|
E3L042542
BDB042542
|
US12459899, Example 106
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CCN(c2ccc(F)cc2F)CC1
|
C22H20F3N3O2 415.415000 |
SZBDJJSIEBRNHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784014; PubChem:CID156318945
|
Local ready
Direct docking supported
|
|
E3L042543
BDB042543
|
US12459899, Example 107
N#Cc1ccc(F)c(N2CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)c1
|
C23H20F2N4O2 422.435000 |
JWONGNRYQRFDKH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784015; PubChem:CID156318132
|
Local ready
Direct docking supported
|
|
E3L042544
BDB042544
|
US12459899, Example 108
[C-]#[N+]c1ccc(F)cc1N1CCN(C(=O)CCc2cc3ccc(F)cc3c(=O)[nH]2)CC1
|
C23H20F2N4O2 422.435000 |
LDGXRHPBFJZAMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784016; PubChem:CID167326909
|
Local ready
Direct docking supported
|
|
E3L042545
BDB042545
|
US12459899, Example 109
N#Cc1cc(N2CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)ccc1F
|
C23H20F2N4O2 422.435000 |
XOZMYRORGYTKPE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784017; PubChem:CID156318152
|
Local ready
Direct docking supported
|
|
E3L042546
BDB042546
|
US12459899, Example 110
[C-]#[N+]c1cc(F)ccc1N1CCN(C(=O)CCc2cc3ccc(F)cc3c(=O)[nH]2)CC1
|
C23H20F2N4O2 422.435000 |
GBIVUFSJHDMWOP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784018; PubChem:CID167326914
|
Local ready
Direct docking supported
|
|
E3L042547
BDB042547
|
US12459899, Example 111
N#Cc1ccc(F)c(C2=CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)c1
|
C24H19F2N3O2 419.431000 |
NUKMWHXTECGPKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784019; PubChem:CID156317917
|
Local ready
Direct docking supported
|
|
E3L042548
BDB042548
|
US12459899, Example 112
[C-]#[N+]c1cc(F)ccc1C1=CCN(C(=O)CCc2cc3ccc(F)cc3c(=O)[nH]2)CC1
|
C24H19F2N3O2 419.431000 |
ACVPASIKDDVYLC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784020; PubChem:CID167326898
|
Local ready
Direct docking supported
|
|
E3L042549
BDB042549
|
US12459899, Example 113
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC=C(c2ccc(F)cc2F)CC1
|
C23H19F3N2O2 412.411000 |
YSMXPVOAIHJOCV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784021; PubChem:CID156318007
|
Local ready
Direct docking supported
|
|
E3L042550
BDB042550
|
US12459899, Example 114
N#Cc1cc(F)cc(C2=CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)c1
|
C24H19F2N3O2 419.431000 |
SAQNXYLKYAAXAI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784022; PubChem:CID156318099
|
Local ready
Direct docking supported
|
|
E3L042551
BDB042551
|
US12459899, Example 115
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC=C(c2cccc(F)c2)CC1
|
C23H20F2N2O2 394.421000 |
ZBYYPLPWJQYQKR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784023; PubChem:CID156318950
|
Local ready
Direct docking supported
|
|
E3L042552
BDB042552
|
US12459899, Example 116
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC[C@H](c2ccc(F)cc2)C1
|
C22H20F2N2O2 382.410000 |
JZGISAXIAGRFDR-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784024; PubChem:CID156318012
|
Local ready
Direct docking supported
|
|
E3L042553
BDB042553
|
US12459899, Example 117
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC[C@@H](c2ccc(F)cc2)C1
|
C22H20F2N2O2 382.410000 |
JZGISAXIAGRFDR-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784025; PubChem:CID156318025
|
Local ready
Direct docking supported
|
|
E3L042554
BDB042554
|
US12459899, Example 118
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
|
C23H21F4N3O2 447.432000 |
QXIRJOYKAKJZRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784026; PubChem:CID156318281
|
Local ready
Direct docking supported
|
|
E3L042555
BDB042555
|
US12459899, Example 119
N#Cc1cc(F)cc(N2CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)c1
|
C23H20F2N4O2 422.435000 |
CWQPLURXHJOZTF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784027; PubChem:CID156318011
|
Local ready
Direct docking supported
|
|
E3L042556
BDB042556
|
US12459899, Example 120
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CCN(c2cccc(F)c2)CC1
|
C22H21F2N3O2 397.425000 |
DQCUVYFVBMMBHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784028; PubChem:CID156318504
|
Local ready
Direct docking supported
|
|
E3L042557
BDB042557
|
US12459899, Example 121
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC=C(c2ccnc(F)c2)CC1
|
C22H19F2N3O2 395.409000 |
MKMDSSNPEOEKSW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784029; PubChem:CID156318280
|
Local ready
Direct docking supported
|
|
E3L042558
BDB042558
|
US12459899, Example 122
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc12
|
C24H23FN4O2 418.472000 |
ICGCOOPJUKYIOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784030; PubChem:CID156318061
|
Local ready
Direct docking supported
|
|
E3L042559
BDB042559
|
US12459899, Example 123
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc12
|
C23H22FN5O2 419.460000 |
XPQYASOVXCLPHP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784031; PubChem:CID156318848
|
Local ready
Direct docking supported
|
|
E3L042560
BDB042560
|
US12459899, Example 124
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc12
|
C23H22FN5O2 419.460000 |
HVSSBTZTYAIXGZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784032; PubChem:CID156318380
|
Local ready
Direct docking supported
|