| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061261
BDB061261
|
BDBM50579043
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(CC4CCCCC4)CC3)c(O)cc(O)c12
|
C27H32N2O5 464.562000 |
DOLOJQLUUPNREF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579043; PubChem:CID164624932
|
Local ready
Direct docking supported
|
|
E3L061262
BDB061262
|
BDBM50579044
CC(C)CCN1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C25H30N2O5 438.524000 |
GAVTZFDXFKIUNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579044; PubChem:CID164629187
|
Local ready
Direct docking supported
|
|
E3L061263
BDB061263
|
BDBM50579045
Cc1ccc(CN2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc1
|
C28H28N2O5 472.541000 |
ZCDYIXTZSZFBSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579045; PubChem:CID164628873
|
Local ready
Direct docking supported
|
|
E3L061264
BDB061264
|
BDBM50579046
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccc(Cl)cc4)CC3)c(O)cc(O)c12
|
C27H25ClN2O5 492.959000 |
WRKDFSOCHUEPJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579046; PubChem:CID164611805
|
Local ready
Direct docking supported
|
|
E3L061265
BDB061265
|
BDBM50579047
COc1ccc(CN2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc1
|
C28H28N2O6 488.540000 |
WMYCQAURMBEKQJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579047; PubChem:CID164623244
|
Local ready
Direct docking supported
|
|
E3L061266
BDB061266
|
BDBM50579048
COc1cc(CN2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc(OC)c1
|
C29H30N2O7 518.566000 |
ORNADEHMGKTUNU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579048; PubChem:CID164621316
|
Local ready
Direct docking supported
|
|
E3L061267
BDB061267
|
BDBM50579049
COc1ccc(CN2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)c(OC)c1OC
|
C30H32N2O8 548.592000 |
MVYNRPRJQGXLAH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579049; PubChem:CID164622111
|
Local ready
Direct docking supported
|
|
E3L061268
BDB061268
|
BDBM50579050
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c(O)cc(O)c12
|
C28H25F3N2O5 526.511000 |
FZTVSJNVRUKYST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579050; PubChem:CID164626377
|
Local ready
Direct docking supported
|
|
E3L061269
BDB061269
|
BDBM50579051
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccc(F)cc4)CC3)c(O)cc(O)c12
|
C27H25FN2O5 476.504000 |
YNPSZYHSMIFIMD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579051; PubChem:CID164626318
|
Local ready
Direct docking supported
|
|
E3L061270
BDB061270
|
BDBM50579052
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(CC4CCCO4)CC3)c(O)cc(O)c12
|
C25H28N2O6 452.507000 |
OOEABJDNSYFTIF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579052; PubChem:CID164625901
|
Local ready
Direct docking supported
|
|
E3L061271
BDB061271
|
Parp1-IN-5
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4cccs4)CC3)c(O)cc(O)c12
|
C25H24N2O5S 464.543000 |
RNPMZVGNPDWZAV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579053; PubChem:CID162370709
|
Local ready
Direct docking supported
|
|
E3L061272
BDB061272
|
BDBM50579054
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccco4)CC3)c(O)cc(O)c12
|
C25H24N2O6 448.475000 |
DMAWEGWCFGENSW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579054; PubChem:CID164629136
|
Local ready
Direct docking supported
|
|
E3L061273
BDB061273
|
BDBM50579055
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccncc4)CC3)c(O)cc(O)c12
|
C26H25N3O5 459.502000 |
VVBZPBWLCKEFCR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579055; PubChem:CID164613047
|
Local ready
Direct docking supported
|
|
E3L061274
BDB061274
|
BDBM50579056
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccsc4)CC3)c(O)cc(O)c12
|
C25H24N2O5S 464.543000 |
KICPCWUSNBHOMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579056; PubChem:CID164615567
|
Local ready
Direct docking supported
|
|
E3L061275
BDB061275
|
BDBM50579057
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(Cc4ccoc4)CC3)c(O)cc(O)c12
|
C25H24N2O6 448.475000 |
DHHPGIZAYLBCLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579057; PubChem:CID164617063
|
Local ready
Direct docking supported
|
|
E3L061276
BDB061276
|
BDBM50579058
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccccc4)CC3)c(O)cc(O)c12
|
C26H24N2O5 444.487000 |
KPCSBOCTZXBEFZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579058; PubChem:CID164617988
|
Local ready
Direct docking supported
|
|
E3L061277
BDB061277
|
BDBM50579059
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccccc4O)CC3)c(O)cc(O)c12
|
C26H24N2O6 460.486000 |
JHCVUGJIHPEYQR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579059; PubChem:CID164613855
|
Local ready
Direct docking supported
|
|
E3L061278
BDB061278
|
BDBM50579060
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccc(O)cc4)CC3)c(O)cc(O)c12
|
C26H24N2O6 460.486000 |
KDGSEUCXCOWAEW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579060; PubChem:CID164622584
|
Local ready
Direct docking supported
|
|
E3L061279
BDB061279
|
BDBM50579061
Cc1ccc(N2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc1
|
C27H26N2O5 458.514000 |
OFQVUHPQGWFFND-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579061; PubChem:CID164609306
|
Local ready
Direct docking supported
|
|
E3L061280
BDB061280
|
BDBM50579062
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(c4ccc(Cl)cc4)CC3)c(O)cc(O)c12
|
C26H23ClN2O5 478.932000 |
OKIUJFLQYIVBHM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579062; PubChem:CID164616882
|
Local ready
Direct docking supported
|