| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009041
BDB009041
|
BDBM214114
O=C(Cc1cccc(Oc2ccccc2)c1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C29H27N3O3 465.553000 |
AZLMAJADLJVPOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214114; PubChem:CID69047455
|
Local ready
Direct docking supported
|
|
E3L009042
BDB009042
|
BDBM214115
CCc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C24H25N3O2 387.483000 |
CPNUWFLHRDXKQI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214115; PubChem:CID69042915
|
Local ready
Direct docking supported
|
|
E3L009043
BDB009043
|
BDBM214116
Cc1c(F)cccc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H22FN3O2 391.446000 |
JSDDGXPHTOPAPY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214116; PubChem:CID69048215
|
Local ready
Direct docking supported
|
|
E3L009044
BDB009044
|
BDBM214117
Cc1ccc(F)cc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H22FN3O2 391.446000 |
QZVHDBXBUBGUKB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214117; PubChem:CID69043235
|
Local ready
Direct docking supported
|
|
E3L009045
BDB009045
|
BDBM214118
Cc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1F
|
C23H22FN3O2 391.446000 |
HLSOCEIVTGRYBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214118; PubChem:CID69043490
|
Local ready
Direct docking supported
|
|
E3L009046
BDB009046
|
BDBM214119
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cccc(F)c1F
|
C22H19F2N3O2 395.409000 |
ASTJWYAKBWLURT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214119; PubChem:CID69042157
|
Local ready
Direct docking supported
|
|
E3L009047
BDB009047
|
BDBM214120
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc(F)cc1F
|
C22H19F2N3O2 395.409000 |
FYSAUIJPSNOSCF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214120; PubChem:CID69047839
|
Local ready
Direct docking supported
|
|
E3L009048
BDB009048
|
BDBM214121
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cc(F)ccc1F
|
C22H19F2N3O2 395.409000 |
BTIMMMKYQSLUHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214121; PubChem:CID69048184
|
Local ready
Direct docking supported
|
|
E3L009049
BDB009049
|
BDBM214122
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cc(F)cc(F)c1
|
C22H19F2N3O2 395.409000 |
OLZROUCYCJXZRY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214122; PubChem:CID69043254
|
Local ready
Direct docking supported
|
|
E3L009050
BDB009050
|
BDBM214123
CCCc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O2 401.510000 |
HWQDLOLOWYCWIO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214123; PubChem:CID69048179
|
Local ready
Direct docking supported
|
|
E3L009051
BDB009051
|
BDBM214124
CC(C)c1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O2 401.510000 |
VLLRBORZHOEQIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214124; PubChem:CID69047265
|
Local ready
Direct docking supported
|
|
E3L009052
BDB009052
|
BDBM214125
CCOc1ccccc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O3 403.482000 |
PUPINHJTUAUZNR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214125; PubChem:CID69047848
|
Local ready
Direct docking supported
|
|
E3L009053
BDB009053
|
BDBM214126
CC(C)Oc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O3 417.509000 |
MPNAGUROMLUNTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214126; PubChem:CID69046777
|
Local ready
Direct docking supported
|
|
E3L009054
BDB009054
|
BDBM214127
CCN(CC)c1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C26H30N4O2 430.552000 |
BTVJVNZZCDTWMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214127; PubChem:CID69042947
|
Local ready
Direct docking supported
|
|
E3L009055
BDB009055
|
BDBM214128
CCCCOc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C26H29N3O3 431.536000 |
BVZCGLCFZXNYBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214128; PubChem:CID69045003
|
Local ready
Direct docking supported
|
|
E3L009056
BDB009056
|
BDBM214129
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cc(C(F)(F)F)ccc1F
|
C23H19F4N3O2 445.416000 |
AGYAKUBGZFTGRZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214129; PubChem:CID69309493
|
Local ready
Direct docking supported
|
|
E3L009057
BDB009057
|
BDBM214130
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cc(C(F)(F)F)ccc1Cl
|
C23H19ClF3N3O2 461.871000 |
BKZWDSYIZGNWNQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214130; PubChem:CID69047893
|
Local ready
Direct docking supported
|
|
E3L009058
BDB009058
|
BDBM214131
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccco1
|
C20H19N3O3 349.390000 |
IPIPZDDGCZDQEL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214131; PubChem:CID69043823
|
Local ready
Direct docking supported
|
|
E3L009059
BDB009059
|
BDBM214132
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccoc1
|
C20H19N3O3 349.390000 |
LFRNPXAFNIZMSA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214132; PubChem:CID69047178
|
Local ready
Direct docking supported
|
|
E3L009060
BDB009060
|
BDBM214133
Cc1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(C)o1
|
C22H23N3O3 377.444000 |
BYWHKPKUOXUQSE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214133; PubChem:CID69044368
|
Local ready
Direct docking supported
|