| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049801
BDB049801
|
BDBM50248732
NC(=O)c1cc(F)cc2[nH]c(C(=O)N3CCC(NC4CCCCC4)C3)nc12
|
C19H24FN5O2 373.432000 |
DFLMYYBQQIIOLC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248732; PubChem:CID137645265
|
Local ready
Direct docking supported
|
|
E3L049802
BDB049802
|
BDBM50248733
CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C19H25N5O4 387.440000 |
OBHSELUGJJEFPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248733; PubChem:CID137640545
|
Local ready
Direct docking supported
|
|
E3L049803
BDB049803
|
BDBM50248734
NC(=O)c1cccc2[nH]c(C(=O)N3CCC(NC4CCCCC4)CC3)nc12
|
C20H27N5O2 369.469000 |
YMUNFZQDIUAGFL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248734; PubChem:CID137638662
|
Local ready
Direct docking supported
|
|
E3L049804
BDB049804
|
BDBM50248735
CC(C)(C)OC(=O)N1CCC(NC2CCN(C(=O)c3nc4c(C(N)=O)cccc4[nH]3)CC2)CC1
|
C24H34N6O4 470.574000 |
LDXDJEHVEREBOO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248735; PubChem:CID137643739
|
Local ready
Direct docking supported
|
|
E3L049805
BDB049805
|
BDBM50248740
NC(=O)c1cccc2[nH]c(C(=O)N3CCC(NC4CCNCC4)CC3)nc12
|
C19H26N6O2 370.457000 |
JDVXDARJYHZGQG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248740; PubChem:CID137649777
|
Local ready
Direct docking supported
|
|
E3L049806
BDB049806
|
BDBM50248741
NC(=O)c1cc(F)cc2[nH]c(C(=O)N3CCC(N)CC3)nc12
|
C14H16FN5O2 305.313000 |
PYDVJBPGFWXTDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248741; PubChem:CID137646632
|
Local ready
Direct docking supported
|
|
E3L049807
BDB049807
|
BDBM50248742
NC(=O)c1cc(F)cc2[nH]c(C(=O)N3CCC(NC4CCCCC4)CC3)nc12
|
C20H26FN5O2 387.459000 |
JKAHAAKUCDSUBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248742; PubChem:CID137658777
|
Local ready
Direct docking supported
|
|
E3L049808
BDB049808
|
BDBM50248743
CC[C@H]1CN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)CCN1C(=O)OC(C)(C)C
|
C20H27N5O4 401.467000 |
HZINPENBYYCNPV-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248743; PubChem:CID137646686
|
Local ready
Direct docking supported
|
|
E3L049809
BDB049809
|
BDBM50248744
CC[C@@H]1CN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)CCN1C(=O)OC(C)(C)C
|
C20H27N5O4 401.467000 |
HZINPENBYYCNPV-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248744; PubChem:CID137648137
|
Local ready
Direct docking supported
|
|
E3L049810
BDB049810
|
BDBM50248750
CC(C)CN1CCN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C17H23N5O2 329.404000 |
AVMCNSJLPQLHIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248750; PubChem:CID137641523
|
Local ready
Direct docking supported
|
|
E3L049811
BDB049811
|
BDBM50248751
CC[C@H]1CN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)CCN1
|
C15H19N5O2 301.350000 |
DWDPXQPOOOEJJN-VIFPVBQESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248751; PubChem:CID137639400
|
Local ready
Direct docking supported
|
|
E3L049812
BDB049812
|
BDBM50248752
CC[C@@H]1CN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)CCN1
|
C15H19N5O2 301.350000 |
DWDPXQPOOOEJJN-SECBINFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248752; PubChem:CID137636361
|
Local ready
Direct docking supported
|
|
E3L049813
BDB049813
|
BDBM50248753
NC(=O)c1cccc2[nH]c(C(=O)NC3CN4CCC3CC4)nc12
|
C16H19N5O2 313.361000 |
OAHDWJJTZZUJFW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248753; PubChem:CID137649237
|
Local ready
Direct docking supported
|
|
E3L049814
BDB049814
|
BDBM50248754
NC(=O)c1cccc2[nH]c(C(=O)N3CCNC(=O)C3)nc12
|
C13H13N5O3 287.279000 |
CIRVJJHCDNAWNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248754; PubChem:CID137642335
|
Local ready
Direct docking supported
|
|
E3L049815
BDB049815
|
BDBM50248755
NC(=O)c1cccc2[nH]c(C(=O)NC3CCN(C4CCCCC4)C3)nc12
|
C19H25N5O2 355.442000 |
OYKBBGDFAVSPDF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248755; PubChem:CID137632114
|
Local ready
Direct docking supported
|
|
E3L049816
BDB049816
|
2-N-pyrrolidin-3-yl-1H-benzimidazole-2,4-dicarboxamide
NC(=O)c1cccc2[nH]c(C(=O)NC3CCNC3)nc12
|
C13H15N5O2 273.296000 |
TXAVLMBAUXLJBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248756; PubChem:CID137649108
|
Local ready
Direct docking supported
|
|
E3L049817
BDB049817
|
BDBM50248757
CC(C)(C)OC(=O)N1CCCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)C1
|
C19H25N5O4 387.440000 |
WDJQTINHIVGJBR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248757; PubChem:CID137654341
|
Local ready
Direct docking supported
|
|
E3L049818
BDB049818
|
BDBM50248758
NC(=O)c1cccc2[nH]c(C(=O)NC3CCCN(C4CCCCC4)C3)nc12
|
C20H27N5O2 369.469000 |
WJBPKBJEOKGJNO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248758; PubChem:CID137634822
|
Local ready
Direct docking supported
|
|
E3L049819
BDB049819
|
BDBM50248759
CC(C)(C)OC(=O)N1CCC(N2CCCC(NC(=O)c3nc4c(C(N)=O)cccc4[nH]3)C2)CC1
|
C24H34N6O4 470.574000 |
QIBCZPGLOYRONY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248759; PubChem:CID137652719
|
Local ready
Direct docking supported
|
|
E3L049820
BDB049820
|
2-N-piperidin-3-yl-1H-benzimidazole-2,4-dicarboxamide
NC(=O)c1cccc2[nH]c(C(=O)NC3CCCNC3)nc12
|
C14H17N5O2 287.323000 |
QOBPTBTUMOVTPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248760; PubChem:CID137638789
|
Local ready
Direct docking supported
|