| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058021
BDB058021
|
BDBM50501841
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCN(c4cnccn4)CC3)cc1)C2=O
|
C25H21N5O4 455.474000 |
ILNOBOZHDONPIV-ZHZULCJRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501841; PubChem:CID155549878
|
Local ready
Direct docking supported
|
|
E3L058022
BDB058022
|
BDBM50501842
COc1ccnc(N2CCN(C(=O)c3ccc(/C=C4\Oc5c(C(N)=O)cccc5C4=O)cc3)CC2)n1
|
C26H23N5O5 485.500000 |
UBPQZNYLZKFYCT-HKWRFOASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501842; PubChem:CID155526203
|
Local ready
Direct docking supported
|
|
E3L058023
BDB058023
|
BDBM50501843
COCc1nc(-c2ccnc(N3CCN(C(=O)c4ccc(/C=C5\Oc6c(C(N)=O)cccc6C5=O)cc4)CC3)n2)no1
|
C29H25N7O6 567.562000 |
RXQSBZSFRJPXHW-JCMHNJIXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501843; PubChem:CID155554382
|
Local ready
Direct docking supported
|
|
E3L058024
BDB058024
|
BDBM50501844
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCn4cnnc4C3)cc1)C2=O
|
C22H17N5O4 415.409000 |
ADPSUSDFXYSLEX-YVLHZVERSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501844; PubChem:CID155562207
|
Local ready
Direct docking supported
|
|
E3L058025
BDB058025
|
BDBM50501845
Cc1nnc2n1CCN(C(=O)c1ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc1)C2
|
C23H19N5O4 429.436000 |
GTZILCFFHHBZOR-WQRHYEAKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501845; PubChem:CID155562883
|
Local ready
Direct docking supported
|
|
E3L058026
BDB058026
|
BDBM50501846
CCOC(=O)c1nnc2n1CCN(C(=O)c1ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc1)C2
|
C25H21N5O6 487.472000 |
XKBLRQOXNMSXTO-PDGQHHTCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501846; PubChem:CID155549990
|
Local ready
Direct docking supported
|
|
E3L058027
BDB058027
|
BDBM50501847
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCn4c(nnc4C(F)F)C3)cc1)C2=O
|
C23H17F2N5O4 465.416000 |
PXVGNWOIQRDFEX-YBEGLDIGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501847; PubChem:CID155518352
|
Local ready
Direct docking supported
|
|
E3L058028
BDB058028
|
BDBM50501848
CC(C)c1nnc2n1CCN(C(=O)c1ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc1)C2
|
C25H23N5O4 457.490000 |
IADDRMVOCUHETH-UNOMPAQXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501848; PubChem:CID155510989
|
Local ready
Direct docking supported
|
|
E3L058029
BDB058029
|
BDBM50501849
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCn4c(nnc4C4CCCC4)C3)cc1)C2=O
|
C27H25N5O4 483.528000 |
FMVGMOVFNFTMQG-STZFKDTASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501849; PubChem:CID155533692
|
Local ready
Direct docking supported
|
|
E3L058030
BDB058030
|
BDBM50501850
NC(=O)c1cccc2c1O/C(=C\c1cccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c1)C2=O
|
C23H16F3N5O4 483.406000 |
CUTDDCSUXVBWHU-YBEGLDIGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501850; PubChem:CID155534656
|
Local ready
Direct docking supported
|
|
E3L058031
BDB058031
|
BDBM50501851
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)NCCc3nc4cc(F)ccc4[nH]3)cc1)C2=O
|
C26H19FN4O4 470.460000 |
WQVWSKPWEYNALT-MTJSOVHGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501851; PubChem:CID155521429
|
Local ready
Direct docking supported
|
|
E3L058032
BDB058032
|
BDBM50501852
NC(=O)c1cccc2c1O/C(=C\c1cccc(C(=O)NCCc3nc4cc(F)ccc4[nH]3)c1)C2=O
|
C26H19FN4O4 470.460000 |
HCKRREOJGDZTQS-MTJSOVHGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501852; PubChem:CID155535359
|
Local ready
Direct docking supported
|
|
E3L058033
BDB058033
|
BDBM50501853
CC(C)(Cc1nc2ccccc2[nH]1)NC(=O)c1ccc(/C=C2\Oc3c(C(N)=O)cccc3C2=O)cc1
|
C28H24N4O4 480.524000 |
MOUKRFDIPPHVSV-HMAPJEAMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501853; PubChem:CID155537391
|
Local ready
Direct docking supported
|
|
E3L058034
BDB058034
|
BDBM50501854
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)cc1)C2=O
|
C27H20N4O4 464.481000 |
MBHLAHGJFBPVGL-UUYOSTAYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501854; PubChem:CID155512744
|
Local ready
Direct docking supported
|
|
E3L058035
BDB058035
|
BDBM50501855
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCN(c4nc5ccccc5[nH]4)CC3)cc1)C2=O
|
C28H23N5O4 493.523000 |
UVYVRAATXCFMQQ-KQWNVCNZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501855; PubChem:CID155537249
|
Local ready
Direct docking supported
|
|
E3L058036
BDB058036
|
BDBM50501856
NC(=O)c1cccc2c1O/C(=C\c1ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc1)C2=O
|
C29H24N4O4 492.535000 |
KBUKRPQXMLIHGN-JLPGSUDCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501856; PubChem:CID155561767
|
Local ready
Direct docking supported
|
|
E3L058037
BDB058037
|
BDBM50501857
NC(=O)c1cccc2c1O/C(=C\c1ccc(-c3nccs3)cc1)C2=O
|
C19H12N2O3S 348.383000 |
SIUQVYFLUFWASI-GDNBJRDFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501857; PubChem:CID155563801
|
Local ready
Direct docking supported
|
|
E3L058038
BDB058038
|
BDBM50501858
NC(=O)c1cccc2c1O/C(=C\c1ccc(-n3cncn3)cc1)C2=O
|
C18H12N4O3 332.319000 |
JLVUYMWXRVXCEG-NVNXTCNLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501858; PubChem:CID155563874
|
Local ready
Direct docking supported
|
|
E3L058039
BDB058039
|
BDBM50501859
NC(=O)c1cccc2c1O/C(=C\c1ccc(-c3cc[nH]n3)cc1)C2=O
|
C19H13N3O3 331.331000 |
OJEANNBBGKRSTG-YBEGLDIGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501859; PubChem:CID155523711
|
Local ready
Direct docking supported
|
|
E3L058040
BDB058040
|
BDBM50501860
NC(=O)c1cccc2c1O/C(=C\c1cccc(-c3nn[nH]n3)c1)C2=O
|
C17H11N5O3 333.307000 |
PVFLDVIYCDNDDQ-JYRVWZFOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50501860; PubChem:CID155538039
|
Local ready
Direct docking supported
|