| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046021
BDB046021
|
BDBM50120236
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2cccnc2)cc1
|
C23H22N4O4S 450.520000 |
HXNKEUNXCLKSAO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120236; PubChem:CID44337637
|
Local ready
Direct docking supported
|
|
E3L046022
BDB046022
|
BDBM50120237
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2ccncc2)cc1
|
C23H22N4O4S 450.520000 |
MMLBBJANSCNKQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120237; PubChem:CID44337647
|
Local ready
Direct docking supported
|
|
E3L046023
BDB046023
|
BDBM50120238
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ccccc2)CC1
|
C22H27N5O4S 457.556000 |
KGPSBZGDOITEKV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120238; PubChem:CID44338296
|
Local ready
Direct docking supported
|
|
E3L046024
BDB046024
|
BDBM50120239
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1
|
C22H25F3N6O4S 526.541000 |
CALSGYWWVDVJQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120239; PubChem:CID10230030
|
Local ready
Direct docking supported
|
|
E3L046025
BDB046025
|
BDBM50120240
Nc1cccnc1N1CCN(C(=O)CNC(=O)CCn2c3c(c(=O)[nH]c2=O)CSCC3)CC1
|
C21H27N7O4S 473.559000 |
LLXYISTUUMHPRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120240; PubChem:CID44338072
|
Local ready
Direct docking supported
|
|
E3L046026
BDB046026
|
BDBM50120241
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ccccn2)CC1
|
C21H26N6O4S 458.544000 |
LNKHSTRDBYZDHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120241; PubChem:CID44338198
|
Local ready
Direct docking supported
|
|
E3L046027
BDB046027
|
BDBM50120242
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2cncnc2)cc1
|
C22H21N5O4S 451.508000 |
GVYHAJLWQRJFGP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120242; PubChem:CID44337636
|
Local ready
Direct docking supported
|
|
E3L046028
BDB046028
|
BDBM50120243
O=C(CCn1c2c(c(=O)[nH]c1=O)CCCC2)NCC(=O)N1CCN(c2ccccc2)CC1
|
C23H29N5O4 439.516000 |
AMNBWMSOISLXPV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120243; PubChem:CID44338129
|
Local ready
Direct docking supported
|
|
E3L046029
BDB046029
|
BDBM50120244
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2ccccc2)cc1
|
C24H23N3O4S 449.532000 |
CJVFCQBUAGFWKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120244; PubChem:CID44338244
|
Local ready
Direct docking supported
|
|
E3L046030
BDB046030
|
BDBM50120245
O=C(CCn1c2c(c(=O)[nH]c1=O)CCCC2)NCC(=O)c1ccccc1
|
C19H21N3O4 355.394000 |
XSXYGRGXAJVWSP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120245; PubChem:CID44337900
|
Local ready
Direct docking supported
|
|
E3L046031
BDB046031
|
BDBM50120246
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(N2CCCC2)cc1
|
C22H26N4O4S 442.541000 |
YGONZSDBCWOHLY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120246; PubChem:CID44337906
|
Local ready
Direct docking supported
|
|
E3L046032
BDB046032
|
BDBM50120247
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc2ccccc2c1
|
C22H21N3O4S 423.494000 |
HMLDGSXDCNSVNJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120247; PubChem:CID44337979
|
Local ready
Direct docking supported
|
|
E3L046033
BDB046033
|
BDBM50120248
O=C(CCn1c2c(c(=O)[nH]c1=O)CCCCC2)NCC(=O)N1CCN(c2ncccn2)CC1
|
C22H29N7O4 455.519000 |
CRXAHYFSERLNJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120248; PubChem:CID44338078
|
Local ready
Direct docking supported
|
|
E3L046034
BDB046034
|
BDBM50120249
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ccncc2)CC1
|
C21H26N6O4S 458.544000 |
NWZYPTBYXYPQFQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120249; PubChem:CID44338090
|
Local ready
Direct docking supported
|
|
E3L046035
BDB046035
|
BDBM50120250
O=c1[nH]c(=O)n(CCCCN2CCN(c3ncccn3)CC2)c2c1CCCC2
|
C20H28N6O2 384.484000 |
ZMYHFZAJCCTFDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120250; PubChem:CID44338034
|
Local ready
Direct docking supported
|
|
E3L046036
BDB046036
|
BDBM50120251
Nc1cccc(-c2ccc(C(=O)CNC(=O)CCn3c4c(c(=O)[nH]c3=O)CSCC4)cc2)c1
|
C24H24N4O4S 464.547000 |
POIOVHOBWCSGOH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120251; PubChem:CID44338474
|
Local ready
Direct docking supported
|
|
E3L046037
BDB046037
|
BDBM50120252
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1cccc(Br)c1
|
C18H18BrN3O4S 452.330000 |
VIIBFNSTQHYTFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120252; PubChem:CID44338185
|
Local ready
Direct docking supported
|
|
E3L046038
BDB046038
|
BDBM50120253
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(OC(=O)c2ccccc2)cc1
|
C25H23N3O6S 493.541000 |
YOLUAAAQXFDLAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120253; PubChem:CID44338243
|
Local ready
Direct docking supported
|
|
E3L046039
BDB046039
|
BDBM50120254
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2cccnn2)cc1
|
C22H21N5O4S 451.508000 |
TVVFADUSZWDUMT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120254; PubChem:CID10366554
|
Local ready
Direct docking supported
|
|
E3L046040
BDB046040
|
BDBM50120255
O=C(Cn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ncccn2)CC1
|
C19H23N7O4S 445.505000 |
PCIJUCMKYPUTOJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120255; PubChem:CID44338020
|
Local ready
Direct docking supported
|