| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009121
BDB009121
|
BDBM214195
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)CC1Cc1n[nH]c(=O)c2c1CCCC2
|
C26H34N4O5 482.581000 |
WXJIWKKHPDJXGP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214195; PubChem:CID69044992
|
Local ready
Direct docking supported
|
|
E3L009122
BDB009122
|
BDBM214196
O=c1[nH]nc(CCc2cccc([N+](=O)[O-])c2)c2c1CCCC2
|
C16H17N3O3 299.330000 |
WVQIKXDKYBWVQS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214196; PubChem:CID69045380
|
Local ready
Direct docking supported
|
|
E3L009123
BDB009123
|
BDBM214197
Nc1cccc(CCc2n[nH]c(=O)c3c2CCCC3)c1
|
C16H19N3O 269.348000 |
MLDGJBVRWQBTMU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214197; PubChem:CID69048182
|
Local ready
Direct docking supported
|
|
E3L009124
BDB009124
|
BDBM214198
O=c1[nH]nc(CC2CNCCN2)c2c1CCCC2
|
C13H20N4O 248.330000 |
MZSPTZZUFNQCKF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214198; PubChem:CID69043912
|
Local ready
Direct docking supported
|
|
E3L009125
BDB009125
|
BDBM214199
O=C1CCCN1c1cccc(CCc2n[nH]c(=O)c3c2CCCC3)c1
|
C20H23N3O2 337.423000 |
VIWNWXBBJMLWBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214199; PubChem:CID69047902
|
Local ready
Direct docking supported
|
|
E3L009126
BDB009126
|
BDBM214200
O=C(COc1ccccc1)Nc1cccc(CCc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O3 403.482000 |
ARUHUFYZYNBIFE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214200; PubChem:CID69047854
|
Local ready
Direct docking supported
|
|
E3L009127
BDB009127
|
BDBM214201
O=C(c1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1)N1CCOCC1
|
C27H28FN3O3 461.537000 |
GVKCZJVOLXSSLQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214201; PubChem:CID69096263
|
Local ready
Direct docking supported
|
|
E3L009128
BDB009128
|
BDBM214202
COC(=O)c1cccc(CCc2n[nH]c(=O)c3c2CCCC3)c1
|
C18H20N2O3 312.369000 |
XTNWPKKJIDBIOM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214202; PubChem:CID69042861
|
Local ready
Direct docking supported
|
|
E3L009129
BDB009129
|
BDBM214203
COC(=O)c1cccc(C(C)Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C19H22N2O3 326.396000 |
NXBBEYCQXOZHTF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214203; PubChem:CID69308565
|
Local ready
Direct docking supported
|
|
E3L009130
BDB009130
|
BDBM214204
O=C(c1ccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)cc1)N1CCOCC1
|
C27H28FN3O3 461.537000 |
CJJAWKUCXLHLMW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214204; PubChem:CID69096035
|
Local ready
Direct docking supported
|
|
E3L009131
BDB009131
|
BDBM214205
O=C(c1ccccc1-c1cc(CCc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCCC1
|
C27H28FN3O2 445.538000 |
QNBHTSGVYVJPOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214205; PubChem:CID69044588
|
Local ready
Direct docking supported
|
|
E3L009132
BDB009132
|
BDBM214206
O=C(c1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1)N1CCCC1
|
C27H28FN3O2 445.538000 |
HMTHNCQCUAXPCK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214206; PubChem:CID69046765
|
Local ready
Direct docking supported
|
|
E3L009133
BDB009133
|
BDBM214207
O=C(NC1CC1)c1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1
|
C26H26FN3O2 431.511000 |
GZFSBRSBVOWSEV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214207; PubChem:CID69090401
|
Local ready
Direct docking supported
|
|
E3L009134
BDB009134
|
BDBM214208
CN(C)CCNC(=O)c1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1
|
C27H31FN4O2 462.569000 |
YPYVEYGHMGINSE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214208; PubChem:CID69307210
|
Local ready
Direct docking supported
|
|
E3L009135
BDB009135
|
BDBM214209
NC(=O)c1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1
|
C23H22FN3O2 391.446000 |
ZIAMGCPVCKTLRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214209; PubChem:CID69307249
|
Local ready
Direct docking supported
|
|
E3L009136
BDB009136
|
BDBM214210
CS(=O)(=O)Nc1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1
|
C23H24FN3O3S 441.528000 |
MQTUWFTWGNFWEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214210; PubChem:CID69090494
|
Local ready
Direct docking supported
|
|
E3L009137
BDB009137
|
BDBM214211
CC(=O)Nc1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1
|
C24H24FN3O2 405.473000 |
VVBAYEQFYBYFKT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214211; PubChem:CID69090703
|
Local ready
Direct docking supported
|
|
E3L009138
BDB009138
|
BDBM214212
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(-c2cccc(C(=O)N3CCOCC3)c2)c1
|
C28H30FN3O3 475.564000 |
DPJYSDXBMOGMIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214212; PubChem:CID69311997
|
Local ready
Direct docking supported
|
|
E3L009139
BDB009139
|
BDBM214213
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(-c2cccc(C(=O)N3CCCC3)c2)c1
|
C28H30FN3O2 459.565000 |
URAHOECQXMUAGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214213; PubChem:CID69045707
|
Local ready
Direct docking supported
|
|
E3L009140
BDB009140
|
BDBM214214
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(-c2cccc(C(=O)NC3CC3)c2)c1
|
C27H28FN3O2 445.538000 |
QSRJEESIYKHGPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214214; PubChem:CID69090519
|
Local ready
Direct docking supported
|