| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005541
BDB005541
|
BDBM130050
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCCC(=O)N2CC[C@H]3CC[C@@H](c4nc5c(-c6ccccc6)cccc5[nH]4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CC[C@@H](c3nc4c(-c5ccccc5)cccc4[nH]3)N2C1=O
|
C60H74N12O6 1059.330000 |
DRYVJXANNWHFGX-GJQZLFHCSA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM130050
|
Local ready
Direct docking supported
|
|
E3L005542
BDB005542
|
BDBM130051
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCCCCC(=O)N2CC[C@H]3CC[C@@H](c4nc5c(-c6ccccc6)cccc5[nH]4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CC[C@@H](c3nc4c(-c5ccccc5)cccc4[nH]3)N2C1=O
|
C62H78N12O6 1087.384000 |
WXBHQQMXKHAAIH-LLUFGHGUSA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM130051
|
Local ready
Direct docking supported
|
|
E3L005543
BDB005543
|
BDBM130085
COc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C13H14N2O2 230.267000 |
NNOBVRPXQLFDNS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130085; PubChem:CID58424842
|
Local ready
Direct docking supported
|
|
E3L005544
BDB005544
|
BDBM130086
COc1cccc2[nH]c(=O)c3c(c12)NCCC3
|
C13H14N2O2 230.267000 |
UWPMJIPMSAQFME-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130086; PubChem:CID58424905
|
Local ready
Direct docking supported
|
|
E3L005545
BDB005545
|
BDBM130087
COc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
|
C13H14N2O2 230.267000 |
XXFQGGDXBNNVSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130087; PubChem:CID58425010
|
Local ready
Direct docking supported
|
|
E3L005546
BDB005546
|
BDBM130088
CCCN1CCCc2c1c1cc(OC)ccc1[nH]c2=O
|
C16H20N2O2 272.348000 |
ZRJVGESWICDHPM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130088; PubChem:CID58424846
|
Local ready
Direct docking supported
|
|
E3L005547
BDB005547
|
BDBM130089
CN1CCCc2c1c1ccccc1[nH]c2=O
|
C13H14N2O 214.268000 |
CQWBMSNUTHRZOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130089; PubChem:CID58424925
|
Local ready
Direct docking supported
|
|
E3L005548
BDB005548
|
BDBM130090
COc1ccc2[nH]c(=O)c3c(c2c1)N(C)CCC3
|
C14H16N2O2 244.294000 |
IGOMFNJWAJTPLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130090; PubChem:CID58424886
|
Local ready
Direct docking supported
|
|
E3L005549
BDB005549
|
BDBM130091
CCN1CCCc2c1c1cc(OC)ccc1[nH]c2=O
|
C15H18N2O2 258.321000 |
WXJLMWCVIOSJGF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130091; PubChem:CID58425021
|
Local ready
Direct docking supported
|
|
E3L005550
BDB005550
|
BDBM130092
CN1CCCc2c1c1cc(O)ccc1[nH]c2=O
|
C13H14N2O2 230.267000 |
WFMDVJUFWFYUFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130092; PubChem:CID58424854
|
Local ready
Direct docking supported
|
|
E3L005551
BDB005551
|
BDBM130093
CCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)NCCC4)CC1
|
C20H27N3O2 341.455000 |
OXIYXPYEFWVJFF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130093; PubChem:CID58424877
|
Local ready
Direct docking supported
|
|
E3L005552
BDB005552
|
BDBM130094
CN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)NCCC4)CC1
|
C18H23N3O2 313.401000 |
IDGSHPDSJNSHRD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130094; PubChem:CID58425005
|
Local ready
Direct docking supported
|
|
E3L005553
BDB005553
|
BDBM130095
CN1CCCc2c1c1cc(OC3CCNCC3)ccc1[nH]c2=O
|
C18H23N3O2 313.401000 |
PRXOOQHIBYMXDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130095; PubChem:CID58424943
|
Local ready
Direct docking supported
|
|
E3L005554
BDB005554
|
BDBM130096
CN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)N(C)CCC4)CC1
|
C19H25N3O2 327.428000 |
IJFZEAADSRFONR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130096; PubChem:CID58424850
|
Local ready
Direct docking supported
|
|
E3L005555
BDB005555
|
BDBM130097
O=C(NCCN1CCCCC1)c1ccc2[nH]c(=O)c3cccnc3c2c1
|
C20H22N4O2 350.422000 |
IHPMJAXYCKDTBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130097; PubChem:CID58425027
|
Local ready
Direct docking supported
|
|
E3L005556
BDB005556
|
BDBM130098
CN(C)CCOc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
|
C16H21N3O2 287.363000 |
JPRMBAKUKSZNBZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130098; PubChem:CID58424934
|
Local ready
Direct docking supported
|
|
E3L005557
BDB005557
|
BDBM130099
O=c1[nH]c2ccc(OCCN3CCCCC3)cc2c2c1CCCN2
|
C19H25N3O2 327.428000 |
CIDDJBBSMNIHTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130099; PubChem:CID58424869
|
Local ready
Direct docking supported
|
|
E3L005558
BDB005558
|
BDBM130100
COCCOc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
|
C15H18N2O3 274.320000 |
AFNBYONKPPLVQR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130100; PubChem:CID58424884
|
Local ready
Direct docking supported
|
|
E3L005559
BDB005559
|
BDBM130101
O=c1[nH]c2ccc(OCCN3CCNCC3)cc2c2c1CCCN2
|
C18H24N4O2 328.416000 |
GMAAFIJLIVNHME-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130101; PubChem:CID58424996
|
Local ready
Direct docking supported
|
|
E3L005560
BDB005560
|
BDBM130102
CCOc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
|
C14H16N2O2 244.294000 |
KBTGZHKNGKUQBB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130102; PubChem:CID58425013
|
Local ready
Direct docking supported
|