| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042681
BDB042681
|
US12459899, Example 253
O=c1[nH]c(CCCN2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)cc2ncccc12
|
C23H25F3N4O 430.474000 |
MZTXAOCTTPGWDA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784160; PubChem:CID156318434
|
Local ready
Direct docking supported
|
|
E3L042682
BDB042682
|
US12459899, Example 254
N#Cc1ccc(OC2CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1
|
C24H24FN3O2 405.473000 |
RZKSETJWLPAUTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784161; PubChem:CID156318053
|
Local ready
Direct docking supported
|
|
E3L042683
BDB042683
|
US12459899, Example 255
N#Cc1ccc(OC2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1
|
C24H22FN3O3 419.456000 |
LVVAKXFYMAINLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784162; PubChem:CID156318489
|
Local ready
Direct docking supported
|
|
E3L042684
BDB042684
|
US12459899, Example 256
N#Cc1ccc(NC2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1
|
C24H23FN4O2 418.472000 |
BMNJDGSESNZBTN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784163; PubChem:CID156318257
|
Local ready
Direct docking supported
|
|
E3L042685
BDB042685
|
US12459899, Example 257
CN(c1ccc(C#N)cc1)C1CCN(C(=O)CCc2cc3cccc(F)c3c(=O)[nH]2)CC1
|
C25H25FN4O2 432.499000 |
RSWPXSFIGNCJFT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784164; PubChem:CID156317942
|
Local ready
Direct docking supported
|
|
E3L042686
BDB042686
|
US12459899, Example 258
N#Cc1ccc(NC2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cn1
|
C23H22FN5O2 419.460000 |
QSYDBBQXFNMIPF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784165; PubChem:CID156318355
|
Local ready
Direct docking supported
|
|
E3L042687
BDB042687
|
US12459899, Example 259
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCC(Nc4ccc(C#N)cc4)CC3)cc12
|
C25H25FN4O2 432.499000 |
CDSQWMSCLOCQPP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784166; PubChem:CID156317970
|
Local ready
Direct docking supported
|
|
E3L042688
BDB042688
|
US12459899, Example 260
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCC(Nc4ccc(C#N)cc4)CC3)cc12
|
C25H25FN4O2 432.499000 |
FNGADGGHNXSLRL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784167; PubChem:CID156318050
|
Local ready
Direct docking supported
|
|
E3L042689
BDB042689
|
US12459899, Example 261
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc12
|
C25H24FN3O3 433.483000 |
MMQKCADJSKHBDM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784168; PubChem:CID156318069
|
Local ready
Direct docking supported
|
|
E3L042690
BDB042690
|
US12459899, Example 262
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc12
|
C25H24FN3O3 433.483000 |
NRFJNGUPKJZZEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784169; PubChem:CID156318369
|
Local ready
Direct docking supported
|
|
E3L042691
BDB042691
|
US12459899, Example 263
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCC(Nc4ccc(Cl)cc4)CC3)cc12
|
C24H25ClFN3O2 441.934000 |
YTXQXXIWXMDSOO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784170; PubChem:CID156318329
|
Local ready
Direct docking supported
|
|
E3L042692
BDB042692
|
US12459899, Example 264
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCC(Nc4ccc(Cl)cc4)CC3)cc12
|
C24H25ClFN3O2 441.934000 |
ITBVRMGIUJZVPN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784171; PubChem:CID156318106
|
Local ready
Direct docking supported
|
|
E3L042693
BDB042693
|
US12459899, Example 265
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCC(Nc4ccc(C(F)(F)F)cc4)CC3)cc12
|
C25H25F4N3O2 475.486000 |
HTZBCRABIVDOEA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784172; PubChem:CID156317928
|
Local ready
Direct docking supported
|
|
E3L042694
BDB042694
|
US12459899, Example 266
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCC(Nc4ccc(C(F)(F)F)cc4)CC3)cc12
|
C25H25F4N3O2 475.486000 |
GRUHQJANWXSWQB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784173; PubChem:CID156317997
|
Local ready
Direct docking supported
|
|
E3L042695
BDB042695
|
US12459899, Example 267
COC(=O)c1ccc(NC2CCN(C(=O)CCc3cc4c(C)cc(F)cc4c(=O)[nH]3)CC2)cc1
|
C26H28FN3O4 465.525000 |
JPALQUQYNLRZHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784174; PubChem:CID156318100
|
Local ready
Direct docking supported
|
|
E3L042696
BDB042696
|
US12459899, Example 269
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3C4CCC3CC(O)C4)cc12
|
C20H23FN2O3 358.413000 |
GDTMJESMEIOVHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784176; PubChem:CID156318822
|
Local ready
Direct docking supported
|
|
E3L042697
BDB042697
|
US12459899, Example 270
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCC(O)CC3)cc12
|
C18H21FN2O3 332.375000 |
QWVMGLZATVUAHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784177; PubChem:CID156318309
|
Local ready
Direct docking supported
|
|
E3L042698
BDB042698
|
US12459899, Example 271
O=c1[nH]c(CCCN2C3CCC2CC(O)C3)cc2ncccc12
|
C18H23N3O2 313.401000 |
MQLJCXGOUMNYSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784178; PubChem:CID156318303
|
Local ready
Direct docking supported
|
|
E3L042699
BDB042699
|
US12459899, Example 273
N#Cc1ccc(OC2CC3CCC(C2)N3CCCc2cc3cccc(F)c3c(=O)[nH]2)cc1
|
C26H26FN3O2 431.511000 |
XGWVTEWLTUYFDZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784180; PubChem:CID156317920
|
Local ready
Direct docking supported
|
|
E3L042700
BDB042700
|
US12459899, Example 274
N#Cc1ccc(OC2CC3CCC(C2)N3C(=O)CCc2cc3cccc(F)c3c(=O)[nH]2)cc1
|
C26H24FN3O3 445.494000 |
TZBFKDJYBGCCHN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784181; PubChem:CID156317975
|
Local ready
Direct docking supported
|