| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039641
BDB039641
|
BDBM756648
CNC(=O)c1ccc(C2=CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)c(F)n1
|
C24H22F2N6O2 464.476000 |
YJSLMROVQXMXAZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756648; PubChem:CID172560036
|
Local ready
Direct docking supported
|
|
E3L039642
BDB039642
|
BDBM756649
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)C[C@H]2C)c(F)n1
|
C24H25F2N7O2 481.507000 |
CKQIWMZDFHAWQD-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756649; PubChem:CID172560061
|
Local ready
Direct docking supported
|
|
E3L039643
BDB039643
|
BDBM756651
CNC(=O)c1ccc2c(n1)OC[C@H]1CN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CCN21
|
C24H24FN7O3 477.500000 |
WVUVFMVGYOVQEF-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM756651
|
Local ready
Direct docking supported
|
|
E3L039644
BDB039644
|
BDBM756652
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c5c(C)cnn5c4cc3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
KGKRAZRBCRNYFN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756652; PubChem:CID172560161
|
Local ready
Direct docking supported
|
|
E3L039645
BDB039645
|
BDBM756653
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)c3c(F)cnn34)CC2)c(F)n1
|
C22H20F3N7O2 471.443000 |
NRAWTIJOODMZGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756653; PubChem:CID172560125
|
Local ready
Direct docking supported
|
|
E3L039646
BDB039646
|
BDBM756654
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(F)cnn54)c3F)CC2)c(Cl)n1
|
C22H20ClF2N7O2 487.898000 |
UNMQWKSHBRLJLM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756654; PubChem:CID172560197
|
Local ready
Direct docking supported
|
|
E3L039647
BDB039647
|
BDBM756656
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C(F)(F)F)cnn54)c3F)CC2)c(F)n1
|
C23H20F5N7O2 521.450000 |
MILZLJCTDLMQGC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756656; PubChem:CID172560211
|
Local ready
Direct docking supported
|
|
E3L039648
BDB039648
|
BDBM756657
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(F)cnn54)c3F)CC2)c(F)n1
|
C23H22F3N7O2 485.470000 |
CDZVKEJUOKVZRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756657; PubChem:CID172560087
|
Local ready
Direct docking supported
|
|
E3L039649
BDB039649
|
BDBM756658
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(F)cnn54)c3F)CC2)c(F)n1
|
C24H22F3N7O2 497.481000 |
VERAONOTUBOPNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756658; PubChem:CID169266034
|
Local ready
Direct docking supported
|
|
E3L039650
BDB039650
|
BDBM756659
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c5c(F)cnn5c4cc3F)CC2)c(F)n1
|
C22H20F3N7O2 471.443000 |
JQJWUJKFLKIJHP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756659; PubChem:CID172560108
|
Local ready
Direct docking supported
|
|
E3L039651
BDB039651
|
BDBM756660
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c5c(F)cnn5c4cc3F)CC2)c(C)n1
|
C23H23F2N7O2 467.480000 |
CAHFTWDHNSEHBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756660; PubChem:CID172560032
|
Local ready
Direct docking supported
|
|
E3L039652
BDB039652
|
BDBM756661
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c5c(F)cnn5c4cc3F)CC2)c(Cl)n1
|
C22H20ClF2N7O2 487.898000 |
SISUHZJVRZOQES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756661; PubChem:CID172560042
|
Local ready
Direct docking supported
|
|
E3L039653
BDB039653
|
BDBM756662
[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(F)cnn54)c3F)CC2)c(F)n1
|
C22H20F3N7O2 474.461305 |
PMIVWECZXHTRTB-FIBGUPNXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756662; PubChem:CID169302783
|
Local ready
Direct docking supported
|
|
E3L039654
BDB039654
|
BDBM756664
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(F)cnn54)c3F)C[C@H]2C)c(F)n1
|
C23H22F3N7O2 485.470000 |
GOFREDILGIHSQV-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756664; PubChem:CID172560196
|
Local ready
Direct docking supported
|
|
E3L039655
BDB039655
|
BDBM756665
CNC(=O)c1ccc(C2=CCN(Cc3ccc4c([nH]c(=O)c5c(F)cnn54)c3F)CC2)c(F)n1
|
C23H19F3N6O2 468.439000 |
XTRXSBQKMQIRBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756665; PubChem:CID172560153
|
Local ready
Direct docking supported
|
|
E3L039656
BDB039656
|
BDBM756666
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(Cl)c(C)nn54)c3F)CC2)c(F)n1
|
C23H22ClF2N7O2 501.925000 |
LNQNBQNAFCUCKL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756666; PubChem:CID172560171
|
Local ready
Direct docking supported
|
|
E3L039657
BDB039657
|
BDBM756667
CNC(=O)c1ccc(N2CCN(C(C)c3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)c(F)n1
|
C24H25F2N7O2 481.507000 |
BVURDHXSIGZSTB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756667; PubChem:CID172560033
|
Local ready
Direct docking supported
|
|
E3L039658
BDB039658
|
BDBM757024
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CC43)cc2[nH]c1=O
|
C23H26N6O2 418.501000 |
PVOOFJMJDHPMBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757024; PubChem:CID166021798
|
Local ready
Direct docking supported
|
|
E3L039659
BDB039659
|
BDBM757025
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)nc4)CC3)cc2[nH]c1=O
|
C39H41N9O6 731.814000 |
YUBJOUADCHZSHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM757025
|
Local ready
Direct docking supported
|
|
E3L039660
BDB039660
|
BDBM757027
CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)C4CCC43)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
CANZSPMXSMUSHQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM757027; PubChem:CID170056342
|
Local ready
Direct docking supported
|