| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001021
BDB001021
|
9-Amino-6H,11H-indeno[1,2-c]isoquinolin-5-one
Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
|
C16H12N2O 248.285000 |
BIBLEFNXUYTZIB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27515; PubChem:CID11288114
|
Local ready
Direct docking supported
|
|
E3L001022
BDB001022
|
BDBM27516
CN(C)CC(=O)Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2
|
C20H19N3O2 333.391000 |
INBTYXYMDKZVRW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27516; PubChem:CID11290531
|
Local ready
Direct docking supported
|
|
E3L001023
BDB001023
|
BDBM27517
O=C(CN1CCOCC1)Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2
|
C22H21N3O3 375.428000 |
GEWVMOXUEAAXPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27517; PubChem:CID11257357
|
Local ready
Direct docking supported
|
|
E3L001024
BDB001024
|
BDBM27518
CN1CCN(CC(=O)Nc2ccc3c(c2)-c2[nH]c(=O)c4ccccc4c2C3)CC1
|
C23H24N4O2 388.471000 |
MWYHWCFBKADNQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27518; PubChem:CID11269254
|
Local ready
Direct docking supported
|
|
E3L001025
BDB001025
|
BDBM27519
O=C(CCCN1CCOCC1)Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2
|
C24H25N3O3 403.482000 |
ULUOHIWKHZERBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27519; PubChem:CID11165585
|
Local ready
Direct docking supported
|
|
E3L001026
BDB001026
|
BDBM27520
CN(C)CC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
|
C20H19N3O2 333.391000 |
XKNXBYTWJAJGON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27520; PubChem:CID11439016
|
Local ready
Direct docking supported
|
|
E3L001027
BDB001027
|
BDBM27521
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
|
C28H25FN4O2 468.532000 |
PAWPYIRHUFVTHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27521; PubChem:CID11202184
|
Local ready
Direct docking supported
|
|
E3L001028
BDB001028
|
BDBM27522
O=C(CCCN1CCOCC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
|
C24H25N3O3 403.482000 |
XXXKQEXIEAANOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27522; PubChem:CID11338625
|
Local ready
Direct docking supported
|
|
E3L001029
BDB001029
|
BDBM27523
O=C(CO)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
|
C18H14N2O3 306.321000 |
IQMXPGPSCOVFEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27523; PubChem:CID11392596
|
Local ready
Direct docking supported
|
|
E3L001030
BDB001030
|
BDBM27524
CCCNC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
|
C20H19N3O2 333.391000 |
KMAAIUMLIPAUFN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27524; PubChem:CID11336543
|
Local ready
Direct docking supported
|
|
E3L001031
BDB001031
|
INO-1001 free base
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2
|
C23H25N3O4S 439.537000 |
LTZVLHHIAUKGBP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27525; PubChem:CID9889396
|
Local ready
Direct docking supported
|
|
E3L001032
BDB001032
|
BDBM27526
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCn3ccnc3)ccc1-2
|
C22H20N4O3S 420.494000 |
QCWLOIVYNILCTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27526; PubChem:CID10002219
|
Local ready
Direct docking supported
|
|
E3L001033
BDB001033
|
BDBM27527
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCc3ccccc3)ccc1-2
|
C25H22N2O3S 430.529000 |
ZTYWVCHIDFIIME-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27527; PubChem:CID11464583
|
Local ready
Direct docking supported
|
|
E3L001034
BDB001034
|
BDBM27528
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)c(F)cc1-2
|
C23H24FN3O4S 457.527000 |
QLEJHQWPVBZHON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27528; PubChem:CID11248095
|
Local ready
Direct docking supported
|
|
E3L001035
BDB001035
|
BDBM27529
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NN3CCOCC3)c(F)cc1-2
|
C20H18FN3O4S 415.446000 |
WOMLRJQZCAFUSQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27529; PubChem:CID25190933
|
Local ready
Direct docking supported
|
|
E3L001036
BDB001036
|
BDBM27530
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)n3ccnc3)c(F)cc1-2
|
C19H12FN3O3S 381.388000 |
LLBWIKDWKSJTFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27530; PubChem:CID11773441
|
Local ready
Direct docking supported
|
|
E3L001037
BDB001037
|
BDBM27531
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)O)ccc1-2
|
C16H11NO4S 313.334000 |
HRVQGNQRZLXABO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27531; PubChem:CID11267654
|
Local ready
Direct docking supported
|
|
E3L001038
BDB001038
|
Indeno[1,2-c]isoquinolinone, 14
C[N+]1(CCCNS(=O)(=O)c2ccc3c(c2)Cc2c-3[nH]c(=O)c3ccccc23)CCOCC1
|
C24H28N3O4S+ 454.572000 |
BIPVHJOPOSRWRU-UHFFFAOYSA-O | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27532; PubChem:CID11157496
|
Local ready
Direct docking supported
|
|
E3L001039
BDB001039
|
KU-0058948
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCNCC1
|
C21H21FN4O2 380.423000 |
HGEPGGJUGUMFHT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27533; PubChem:CID11291932
|
Local ready
Direct docking supported
|
|
E3L001040
BDB001040
|
BDBM27534
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(CCO)CC1
|
C23H26N4O3 406.486000 |
SKIAOPZHWKLNDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27534; PubChem:CID25132257
|
Local ready
Direct docking supported
|