| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042521
BDB042521
|
US12459899, Example 82
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CC=C(c2ccccc2F)CC1
|
C23H20F2N2O2 394.421000 |
TVEVLBWWBBZPDF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783991; PubChem:CID156318250
|
Local ready
Direct docking supported
|
|
E3L042522
BDB042522
|
US12459899, Example 83
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CC=C(c2cccc(F)c2)CC1
|
C23H20F2N2O2 394.421000 |
SZQUYQFVTMYXCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783992; PubChem:CID156318915
|
Local ready
Direct docking supported
|
|
E3L042523
BDB042523
|
US12459899, Example 84
N#Cc1cc(F)cc(C2=CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)c1
|
C24H19F2N3O2 419.431000 |
BHTNWFDSYMFWPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783993; PubChem:CID156318238
|
Local ready
Direct docking supported
|
|
E3L042524
BDB042524
|
US12459899, Example 85
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CC=C(c2ccc(F)nc2)CC1
|
C22H19F2N3O2 395.409000 |
CNYXVHIKRREUIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783994; PubChem:CID156333081
|
Local ready
Direct docking supported
|
|
E3L042525
BDB042525
|
US12459899, Example 86
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CC=C(c2ccc(F)cn2)CC1
|
C22H19F2N3O2 395.409000 |
YYBZZFAZAQMPQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783995; PubChem:CID156318278
|
Local ready
Direct docking supported
|
|
E3L042526
BDB042526
|
US12459899, Example 87
N#Cc1cc(C2=CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)ccc1F
|
C24H19F2N3O2 419.431000 |
ZESPQZLUCHPUDG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783996; PubChem:CID156317953
|
Local ready
Direct docking supported
|
|
E3L042527
BDB042527
|
US12459899, Example 88
N#Cc1ccc(C2=CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)nc1
|
C23H19FN4O2 402.429000 |
IXCIGWJAAYQVLH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783997; PubChem:CID156318033
|
Local ready
Direct docking supported
|
|
E3L042528
BDB042528
|
US12459899, Example 89
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CCN(c2cccc(F)c2)CC1
|
C22H21F2N3O2 397.425000 |
WXTWVESYCHPOFH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783998; PubChem:CID156318296
|
Local ready
Direct docking supported
|
|
E3L042529
BDB042529
|
BDBM783999
N#Cc1cc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)ccc1F
|
C23H20F2N4O2 422.435000 |
DDESUDRRBSBQGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783999; PubChem:CID156319022
|
Local ready
Direct docking supported
|
|
E3L042530
BDB042530
|
US12459899, Example 92
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CC=C(c2ccnc(F)c2)CC1
|
C22H19F2N3O2 395.409000 |
JDXPEHZBCUMZRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784000; PubChem:CID156317944
|
Local ready
Direct docking supported
|
|
E3L042531
BDB042531
|
US12459899, Example 93
N#Cc1ccc(C2=CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cn1
|
C23H19FN4O2 402.429000 |
KZLUNUQMUKIERK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784001; PubChem:CID156318236
|
Local ready
Direct docking supported
|
|
E3L042532
BDB042532
|
US12459899, Example 94
N#Cc1ccc(N2CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)cc1
|
C23H21FN4O2 404.445000 |
ILXATYMTXPJRPI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784002; PubChem:CID156318211
|
Local ready
Direct docking supported
|
|
E3L042533
BDB042533
|
US12459899, Example 95
N#Cc1ccc(C2=CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)cc1
|
C24H20FN3O2 401.441000 |
HQYVIJYHWBTWBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784003; PubChem:CID156318226
|
Local ready
Direct docking supported
|
|
E3L042534
BDB042534
|
US12459899, Example 96
N#Cc1ccc(C2=CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)nc1
|
C23H19FN4O2 402.429000 |
UHDQTLFCIHHQNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784004; PubChem:CID156317957
|
Local ready
Direct docking supported
|
|
E3L042535
BDB042535
|
US12459899, Example 97
N#Cc1ccc(N2CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)cn1
|
C22H20FN5O2 405.433000 |
CFGJPNXITOIGOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784005; PubChem:CID156318644
|
Local ready
Direct docking supported
|
|
E3L042536
BDB042536
|
US12459899, Example 98
[C-]#[N+]c1ccccc1N1CCN(C(=O)CCc2cc3ccc(F)cc3c(=O)[nH]2)CC1
|
C23H21FN4O2 404.445000 |
WOGDBTJBFVETKT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784006; PubChem:CID167326924
|
Local ready
Direct docking supported
|
|
E3L042537
BDB042537
|
US12459899, Example 100
N#Cc1ccc(N2CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)c(F)c1
|
C23H20F2N4O2 422.435000 |
HRLNPNMMHGFGOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784008; PubChem:CID156319054
|
Local ready
Direct docking supported
|
|
E3L042538
BDB042538
|
US12459899, Example 101
N#Cc1ccc(N2CCN(C(=O)CCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)cc1F
|
C23H20F2N4O2 422.435000 |
VRGPYWKBZVNGMA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784009; PubChem:CID156318986
|
Local ready
Direct docking supported
|
|
E3L042539
BDB042539
|
US12459899, Example 102
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC=C(c2ccc(F)nc2)CC1
|
C22H19F2N3O2 395.409000 |
RHFQKWRRJQBBIE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784010; PubChem:CID156318000
|
Local ready
Direct docking supported
|
|
E3L042540
BDB042540
|
US12459899, Example 104
O=C(CCc1cc2ccc(F)cc2c(=O)[nH]1)N1CC=C(c2ccc(F)cc2)CC1
|
C23H20F2N2O2 394.421000 |
MOUKQQVIHKEPAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784012; PubChem:CID156318261
|
Local ready
Direct docking supported
|