| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054801
BDB054801
|
BDBM50387924
O=C(CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)Nc1ccccc1
|
C25H26FN5O3 463.513000 |
IBXSGJBZXROQGM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387924; PubChem:CID25002935
|
Local ready
Direct docking supported
|
|
E3L054802
BDB054802
|
BDBM50387925
O=C(CCC(=O)c1ccccc1)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C24H23FN4O3 434.471000 |
RQZUSZLWRTUSLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387925; PubChem:CID25003291
|
Local ready
Direct docking supported
|
|
E3L054803
BDB054803
|
BDBM50387926
NC(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C15H15FN4O2 302.309000 |
NIMOKLXVCDUKRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387926; PubChem:CID70690554
|
Local ready
Direct docking supported
|
|
E3L054804
BDB054804
|
BDBM50387927
O=C(NC1CC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C18H19FN4O2 342.374000 |
GSUDRDASUYGWAN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387927; PubChem:CID25003293
|
Local ready
Direct docking supported
|
|
E3L054805
BDB054805
|
BDBM50387928
O=C(NCCN1CCCC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C21H26FN5O2 399.470000 |
YZIDOKPBNXLIHZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387928; PubChem:CID25002933
|
Local ready
Direct docking supported
|
|
E3L054806
BDB054806
|
BDBM50387929
CN1CCN(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C22H29FN6O2 428.512000 |
LTXGZFJBIQKXCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387929; PubChem:CID69323356
|
Local ready
Direct docking supported
|
|
E3L054807
BDB054807
|
BDBM50387930
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCNCC1
|
C19H22FN5O2 371.416000 |
ZHYVGDBBFIUWNS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387930; PubChem:CID69323690
|
Local ready
Direct docking supported
|
|
E3L054808
BDB054808
|
BDBM50387931
NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C20H24FN5O2 385.443000 |
OIRXEJBGBNMAEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387931; PubChem:CID25119423
|
Local ready
Direct docking supported
|
|
E3L054809
BDB054809
|
BDBM50387932
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCNC[C@H]1c1ccccc1
|
C25H26FN5O2 447.514000 |
VYBRSTDIXMSCGM-QFIPXVFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387932; PubChem:CID69319562
|
Local ready
Direct docking supported
|
|
E3L054810
BDB054810
|
BDBM50387933
CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C20H24FN5O2 385.443000 |
XNYFTBIZCSSKCL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387933; PubChem:CID25122972
|
Local ready
Direct docking supported
|
|
E3L054811
BDB054811
|
BDBM50387934
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C2CCCC2)CC1
|
C24H30FN5O2 439.535000 |
VTZGIBQZSWQQFS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387934; PubChem:CID69320408
|
Local ready
Direct docking supported
|
|
E3L054812
BDB054812
|
BDBM50387935
O=C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CCN1
|
C19H20FN5O3 385.399000 |
GLEKMQVQUBOMFS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387935; PubChem:CID69323902
|
Local ready
Direct docking supported
|
|
E3L054813
BDB054813
|
BDBM50387936
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C2CC2)CC1
|
C23H26FN5O3 439.491000 |
NSQHXNPYNJLNJA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387936; PubChem:CID25122250
|
Local ready
Direct docking supported
|
|
E3L054814
BDB054814
|
BDBM50387937
CC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C21H24FN5O3 413.453000 |
QURUROQCFCSSBS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387937; PubChem:CID69320908
|
Local ready
Direct docking supported
|
|
E3L054815
BDB054815
|
BDBM50387938
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C(F)(F)F)CC1
|
C21H21F4N5O3 467.423000 |
YPVFJFDJTITJSK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387938; PubChem:CID70692707
|
Local ready
Direct docking supported
|
|
E3L054816
BDB054816
|
BDBM50387939
O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C26H26FN5O3 475.524000 |
SXXZJCHRUKKCEB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387939; PubChem:CID69319608
|
Local ready
Direct docking supported
|
|
E3L054817
BDB054817
|
BDBM50387940
CN(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C22H27FN6O3 442.495000 |
KPICWBKXUKUCNP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387940; PubChem:CID25122608
|
Local ready
Direct docking supported
|
|
E3L054818
BDB054818
|
BDBM50387941
CS(=O)(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C20H24FN5O4S 449.508000 |
KSLDOSRWFBDYRY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387941; PubChem:CID69323654
|
Local ready
Direct docking supported
|
|
E3L054819
BDB054819
|
BDBM50387942
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccccc2)CC1
|
C25H26FN5O2 447.514000 |
BGJPWHJEDHSWDM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387942; PubChem:CID25117638
|
Local ready
Direct docking supported
|
|
E3L054820
BDB054820
|
BDBM50387943
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccncc2)CC1
|
C24H25FN6O2 448.502000 |
BDPJKAORASQKHG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50387943; PubChem:CID25122606
|
Local ready
Direct docking supported
|