| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012181
BDB012181
|
BDBM259520
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3cccc(F)c3)o2)CC1
|
C26H26FN5O3 475.524000 |
XXNXCOLKURBCKS-RUCARUNLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259520
|
Local ready
Direct docking supported
|
|
E3L012182
BDB012182
|
BDBM259521
COc1cccc(-c2nnc([C@H]3CC[C@H](NC(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)o2)c1
|
C27H29N5O4 487.560000 |
FDICCIFLUUYDFS-UAPYVXQJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259521
|
Local ready
Direct docking supported
|
|
E3L012183
BDB012183
|
BDBM259522
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1
|
C25H26N6O3 458.522000 |
ANHWOOWZYAWFMI-SAABIXHNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259522
|
Local ready
Direct docking supported
|
|
E3L012184
BDB012184
|
BDBM259523
COc1ccc2[nH]c(=O)n(C3CCN(C(=O)CCCc4nc5ccccc5c(=O)[nH]4)CC3)c2c1
|
C25H27N5O4 461.522000 |
MGEFDMCHHLACOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259523; PubChem:CID136628904
|
Local ready
Direct docking supported
|
|
E3L012185
BDB012185
|
BDBM259525
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3cccc(Cl)c3)o2)CC1
|
C26H26ClN5O3 491.979000 |
JVPFBWSJCYHTIN-RUCARUNLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259525
|
Local ready
Direct docking supported
|
|
E3L012186
BDB012186
|
BDBM259526
Cc1cc(=O)[nH]c(SCCC(=O)N[C@H]2CC[C@H](c3nnc(-c4ccccc4)o3)CC2)n1
|
C22H25N5O3S 439.541000 |
ZFHIMDPSSCABJV-QAQDUYKDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259526
|
Local ready
Direct docking supported
|
|
E3L012187
BDB012187
|
BDBM259527
O=C(CCc1cc(=O)n2ccccc2n1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1
|
C25H25N5O3 443.507000 |
OFJNKCHKIMIYDT-WGSAOQKQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259527
|
Local ready
Direct docking supported
|
|
E3L012188
BDB012188
|
BDBM259530
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
|
C24H25N5O3 431.496000 |
MILMCUZGEDRYHA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259530; PubChem:CID136628912
|
Local ready
Direct docking supported
|
|
E3L012189
BDB012189
|
BDBM259531
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2nnc(-c3ccccc3)o2)CC1
|
C25H25N5O3 443.507000 |
XTWGYPAWWDNGTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259531; PubChem:CID136253172
|
Local ready
Direct docking supported
|
|
E3L012190
BDB012190
|
BDBM259532
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(N2C(=O)Cc3ccccc32)CC1
|
C25H26N4O3 430.508000 |
CWSRZPPZHBSBKK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259532; PubChem:CID136253183
|
Local ready
Direct docking supported
|
|
E3L012191
BDB012191
|
BDBM259533
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)oc3ccccc32)CC1
|
C24H24N4O4 432.480000 |
NHVRXWDQNHZJTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259533; PubChem:CID136253171
|
Local ready
Direct docking supported
|
|
E3L012192
BDB012192
|
BDBM259535
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1
|
C24H23N5O3 429.480000 |
HMUTYRXLOPTZOV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259535; PubChem:CID136253162
|
Local ready
Direct docking supported
|
|
E3L012193
BDB012193
|
BDBM259536
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
|
C23H24N6O3 432.484000 |
FWEQRPGVBGGLAV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259536; PubChem:CID136253170
|
Local ready
Direct docking supported
|
|
E3L012194
BDB012194
|
BDBM259537
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(c2n[nH]c3ccccc23)CC1
|
C24H25N5O2 415.497000 |
YSXKCOVMSIANLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259537; PubChem:CID136253180
|
Local ready
Direct docking supported
|
|
E3L012195
BDB012195
|
BDBM259539
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)sc3ccccc32)CC1
|
C24H24N4O3S 448.548000 |
GWKQMSZYRPKGIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259539; PubChem:CID136253161
|
Local ready
Direct docking supported
|
|
E3L012196
BDB012196
|
BDBM259540
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1
|
C24H24FN5O3 449.486000 |
CKOUULRCBKAWEI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259540; PubChem:CID136253178
|
Local ready
Direct docking supported
|
|
E3L012197
BDB012197
|
BDBM259541
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)CC1
|
C25H24F3N5O3 499.493000 |
NENMCAZABRSHBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259541; PubChem:CID136253182
|
Local ready
Direct docking supported
|
|
E3L012198
BDB012198
|
BDBM259542
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(n2c(=O)oc3cc(F)ccc32)CC1
|
C24H23FN4O4 450.470000 |
KCXFNUZJEYUGTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259542; PubChem:CID136253177
|
Local ready
Direct docking supported
|
|
E3L012199
BDB012199
|
BDBM259543
Cn1c(=O)n(C2CCN(C(=O)CCCc3nc4ccccc4c(=O)[nH]3)CC2)c2ccccc21
|
C25H27N5O3 445.523000 |
APADCINNEFMGCF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259543; PubChem:CID136253158
|
Local ready
Direct docking supported
|
|
E3L012200
BDB012200
|
BDBM259544
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2n[nH]c3ccccc23)CC1
|
C23H24N6O2 416.485000 |
ABCZORPRBCURRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM259544; PubChem:CID136253175
|
Local ready
Direct docking supported
|