| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009161
BDB009161
|
BDBM214236
CC1(C)CC(=O)N(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O
|
C21H22FN3O3 383.423000 |
PVGBDMPIUVQZRY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214236; PubChem:CID25006848
|
Local ready
Direct docking supported
|
|
E3L009162
BDB009162
|
BDBM214237
CC1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C20H22FN3O2 355.413000 |
CTRFYPHTLDFEAF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214237; PubChem:CID25006849
|
Local ready
Direct docking supported
|
|
E3L009163
BDB009163
|
BDBM214238
O=C1OCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C18H18FN3O3 343.358000 |
JNIVVJJEXRWWEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214238; PubChem:CID25006850
|
Local ready
Direct docking supported
|
|
E3L009164
BDB009164
|
BDBM214239
O=C1CCCCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C21H24FN3O2 369.440000 |
RJDRGJXDSSFYHV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214239; PubChem:CID25007226
|
Local ready
Direct docking supported
|
|
E3L009165
BDB009165
|
BDBM214240
O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C20H20FN3O3 369.396000 |
NQQJOPGCXSXLET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214240; PubChem:CID25007227
|
Local ready
Direct docking supported
|
|
E3L009166
BDB009166
|
BDBM214241
O=C1NCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C18H19FN4O2 342.374000 |
PIVKEORYLUBFQJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214241; PubChem:CID25007228
|
Local ready
Direct docking supported
|
|
E3L009167
BDB009167
|
BDBM214242
O=c1[nH]nc(Cc2ccc(F)c(N3CCCS3(=O)=O)c2)c2c1CCCC2
|
C18H20FN3O3S 377.441000 |
GIHOJJQJYJHYJI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214242; PubChem:CID25003645
|
Local ready
Direct docking supported
|
|
E3L009168
BDB009168
|
BDBM214244
O=C1CCCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C20H22FN3O2 355.413000 |
KPZOMTQDJSMRGI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214244; PubChem:CID25007230
|
Local ready
Direct docking supported
|
|
E3L009169
BDB009169
|
BDBM214245
O=C(NCc1ccoc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H21N3O3 363.417000 |
NEOLYNHOWZYNGJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214245; PubChem:CID69047216
|
Local ready
Direct docking supported
|
|
E3L009170
BDB009170
|
BDBM214246
O=C(NCc1cccs1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H21N3O2S 379.485000 |
IGHZWNGVNUOBGL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214246; PubChem:CID69047382
|
Local ready
Direct docking supported
|
|
E3L009171
BDB009171
|
BDBM214247
O=C(NCc1ccsc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H21N3O2S 379.485000 |
TVKOLJKYVRNKJT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214247; PubChem:CID69044941
|
Local ready
Direct docking supported
|
|
E3L009172
BDB009172
|
BDBM214248
O=C(NCc1cccnc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H22N4O2 374.444000 |
QGBLGIHDTDBPDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214248; PubChem:CID69046748
|
Local ready
Direct docking supported
|
|
E3L009173
BDB009173
|
BDBM214249
O=C(NCc1ccncc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H22N4O2 374.444000 |
REJYMODLFPCILN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214249; PubChem:CID69044990
|
Local ready
Direct docking supported
|
|
E3L009174
BDB009174
|
BDBM214250
CN(C)CCNC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C20H26N4O2 354.454000 |
WYMYWTQCCKDHMW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214250; PubChem:CID69044365
|
Local ready
Direct docking supported
|
|
E3L009175
BDB009175
|
BDBM214251
CN(C)CCCNC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C21H28N4O2 368.481000 |
KWEZFNGKUXYUJS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214251; PubChem:CID69047449
|
Local ready
Direct docking supported
|
|
E3L009176
BDB009176
|
BDBM214252
O=C(NCCCN1CCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H30N4O2 394.519000 |
WJTVJOUWIBDAGA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214252; PubChem:CID69042918
|
Local ready
Direct docking supported
|
|
E3L009177
BDB009177
|
BDBM214253
O=C(NCCCN1CCCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H32N4O2 408.546000 |
QCDFTHMBQWLYRM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214253; PubChem:CID69043443
|
Local ready
Direct docking supported
|
|
E3L009178
BDB009178
|
BDBM214254
O=C(NCCCN1CCOCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H30N4O3 410.518000 |
IIMRBOQHMOYWAM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214254; PubChem:CID69045334
|
Local ready
Direct docking supported
|
|
E3L009179
BDB009179
|
BDBM214255
O=C(NCCc1c[nH]c2ccccc12)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C26H26N4O2 426.520000 |
ZJAXHCQOSLLXSB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214255; PubChem:CID69090033
|
Local ready
Direct docking supported
|
|
E3L009180
BDB009180
|
BDBM214256
O=C(Nc1nccs1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C19H18N4O2S 366.446000 |
DZNDMCHVERGOMR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214256; PubChem:CID87690014
|
Local ready
Direct docking supported
|