| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042461
BDB042461
|
US12459899, Example 3
N#Cc1ccc(N2CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)nc1
|
C22H22FN5O 391.450000 |
LWIYEAZXNPJUSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783911; PubChem:CID156332834
|
Local ready
Direct docking supported
|
|
E3L042462
BDB042462
|
US12459899, Example 4
O=c1[nH]c(CCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc2cccc(F)c12
|
C23H23F4N3O 433.449000 |
SCTSCNILTWGUNC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783914; PubChem:CID156318087
|
Local ready
Direct docking supported
|
|
E3L042463
BDB042463
|
US12459899, Example 5
N#Cc1ccc(N2CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1F
|
C23H22F2N4O 408.452000 |
FVARGVDFBQXYIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783916; PubChem:CID156317994
|
Local ready
Direct docking supported
|
|
E3L042464
BDB042464
|
US12459899, Example 7
N#Cc1ccc(N2CC3CCC(C2)N3CCCc2cc3cccc(F)c3c(=O)[nH]2)cc1
|
C25H25FN4O 416.500000 |
JYQSUUATEPLXCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783921; PubChem:CID156318288
|
Local ready
Direct docking supported
|
|
E3L042465
BDB042465
|
US12459899, Example 9
O=c1[nH]c(CCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc2ccc(F)cc12
|
C23H23F4N3O 433.449000 |
DJDPJWTXFNUQQZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783923; PubChem:CID156318835
|
Local ready
Direct docking supported
|
|
E3L042466
BDB042466
|
US12459899, Example 10
N#Cc1ccc(N2CCN(CCCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)cn1
|
C22H22FN5O 391.450000 |
LYYGWHTUXMAVFM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783924; PubChem:CID156318074
|
Local ready
Direct docking supported
|
|
E3L042467
BDB042467
|
US12459899, Example 11
O=c1[nH]c(CCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc2ccc(F)cc12
|
C22H23FN4O3 410.449000 |
AWVCXQOOLRGMML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783925; PubChem:CID156317985
|
Local ready
Direct docking supported
|
|
E3L042468
BDB042468
|
US12459899, Example 13
O=c1[nH]c(CCCN2CCN(c3ncccn3)CC2)cc2ccc(F)cc12
|
C20H22FN5O 367.428000 |
MELFSERGWRITAH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783926; PubChem:CID156318040
|
Local ready
Direct docking supported
|
|
E3L042469
BDB042469
|
US12459899, Example 16
O=c1[nH]c(CCCN2CCN(c3cccc(OC(F)(F)F)c3)CC2)cc2ccc(F)cc12
|
C23H23F4N3O2 449.448000 |
GGUDJDQZAFTDCI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783927; PubChem:CID156318943
|
Local ready
Direct docking supported
|
|
E3L042470
BDB042470
|
US12459899, Example 17
O=c1[nH]c(CCCN2CCN(c3cccc(Cl)c3)CC2)cc2ccc(F)cc12
|
C22H23ClFN3O 399.897000 |
QTYSTXOXZCIJDB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783928; PubChem:CID156318304
|
Local ready
Direct docking supported
|
|
E3L042471
BDB042471
|
US12459899, Example 18
COC(=O)c1cccc(N2CCN(CCCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)c1
|
C24H26FN3O3 423.488000 |
XCXKXBIUCFNSIY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783929; PubChem:CID156318028
|
Local ready
Direct docking supported
|
|
E3L042472
BDB042472
|
US12459899, Example 19
O=C(O)c1cccc(N2CCN(CCCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)c1
|
C23H24FN3O3 409.461000 |
SJSWOSMJFRWCIB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783930; PubChem:CID156318859
|
Local ready
Direct docking supported
|
|
E3L042473
BDB042473
|
US12459899, Example 20
CC(=O)Nc1cccc(N2CCN(CCCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)c1
|
C24H27FN4O2 422.504000 |
ZRZLUBXLHJUHQM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783931; PubChem:CID156318276
|
Local ready
Direct docking supported
|
|
E3L042474
BDB042474
|
US12459899, Example 24
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(c4ccccn4)CC3)cc12
|
C22H25FN4O 380.467000 |
LFXYIWGEDUSRMF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783935; PubChem:CID156318072
|
Local ready
Direct docking supported
|
|
E3L042475
BDB042475
|
US12459899, Example 25
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(c4ncccn4)CC3)cc12
|
C21H24FN5O 381.455000 |
HTOCTFNLFAZGNQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783936; PubChem:CID156318319
|
Local ready
Direct docking supported
|
|
E3L042476
BDB042476
|
US12459899, Example 26
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(c4ccc(C#N)cc4F)CC3)cc12
|
C24H24F2N4O 422.479000 |
ADCCZYOWXURNFG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783937; PubChem:CID156319379
|
Local ready
Direct docking supported
|
|
E3L042477
BDB042477
|
US12459899, Example 27
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc12
|
C24H25F4N3O 447.476000 |
KEZWCYSNZAYPDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783938; PubChem:CID156318093
|
Local ready
Direct docking supported
|
|
E3L042478
BDB042478
|
US12459899, Example 28
[C-]#[N+]c1ccccc1N1CCN(CCCc2cc3c(C)ccc(F)c3c(=O)[nH]2)CC1
|
C24H25FN4O 404.489000 |
YWDYURCPBLNSDW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783939; PubChem:CID167326897
|
Local ready
Direct docking supported
|
|
E3L042479
BDB042479
|
US12459899, Example 29
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(c4nccs4)CC3)cc12
|
C20H23FN4OS 386.496000 |
DWOAAGYPSXOVJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783940; PubChem:CID156318082
|
Local ready
Direct docking supported
|
|
E3L042480
BDB042480
|
US12459899, Example 30
Cc1cnc(N2CCN(CCCc3cc4c(C)ccc(F)c4c(=O)[nH]3)CC2)s1
|
C21H25FN4OS 400.523000 |
WMBHSPJAYOURMO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783941; PubChem:CID156317921
|
Local ready
Direct docking supported
|