| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034161
BDB034161
|
BDBM684707
CCc1cc2ncc(CN3CC=C(c4ncc(C)n4C)CC3)cc2[nH]c1=O
|
C21H25N5O 363.465000 |
DYSGNXQEADLDDC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684707; PubChem:CID166082759
|
Local ready
Direct docking supported
|
|
E3L034162
BDB034162
|
BDBM684708
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4Cl)CC3)cc2[nH]c1=O
|
C23H24ClN5O2 437.931000 |
BMJLGNWXAKLERN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684708; PubChem:CID170775039
|
Local ready
Direct docking supported
|
|
E3L034163
BDB034163
|
BDBM684709
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC#N)nc4)CC3)cc2[nH]c1=O
|
C23H22N6O2 414.469000 |
FTXWAXSESNFBST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684709; PubChem:CID170775038
|
Local ready
Direct docking supported
|
|
E3L034164
BDB034164
|
BDBM684710
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NCC#N)nc4)CC3)cc2[nH]c1=O
|
C24H24N6O2 428.496000 |
DVKQVGBBGZTACY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684710; PubChem:CID170775035
|
Local ready
Direct docking supported
|
|
E3L034165
BDB034165
|
BDBM684711
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC5(C#N)CC5)nc4)CC3)cc2[nH]c1=O
|
C26H26N6O2 454.534000 |
HKNIHFRYYMBLCT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684711; PubChem:CID170775018
|
Local ready
Direct docking supported
|
|
E3L034166
BDB034166
|
BDBM684712
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)c(F)c4Cl)CC3)cc2[nH]c1=O
|
C24H24ClFN4O2 454.933000 |
OESCMBBVDWKZRI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684712; PubChem:CID170775008
|
Local ready
Direct docking supported
|
|
E3L034167
BDB034167
|
BDBM684713
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)c(F)c4C)CC3)cc2[nH]c1=O
|
C25H27FN4O2 434.515000 |
FBECDBFSDIUXKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684713; PubChem:CID170775021
|
Local ready
Direct docking supported
|
|
E3L034168
BDB034168
|
BDBM684714
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)c(F)c4F)CC3)cc2[nH]c1=O
|
C24H24F2N4O2 438.478000 |
HHWPBOYBPLWNPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684714; PubChem:CID170775026
|
Local ready
Direct docking supported
|
|
E3L034169
BDB034169
|
BDBM684715
CCc1cc2ncc(CN3CCN(c4ccc5c(c4)C(=O)N(C)C5=O)CC3)cc2[nH]c1=O
|
C24H25N5O3 431.496000 |
CAKPHHYAUIPCQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684715; PubChem:CID166082778
|
Local ready
Direct docking supported
|
|
E3L034170
BDB034170
|
BDBM684716
CCc1cc2ncc(CN3CCN(c4ccc5c(C(=O)NC)ncn5c4)CC3)cc2[nH]c1=O
|
C24H27N7O2 445.527000 |
KVYACXRSYYMCDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684716; PubChem:CID166082792
|
Local ready
Direct docking supported
|
|
E3L034171
BDB034171
|
BDBM684717
CCc1cc2ncc(CN3CCC(c4ccc(C(=O)NC)nc4)=C(F)C3)cc2[nH]c1=O
|
C23H24FN5O2 421.476000 |
QUHZHUSGYLRGQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684717; PubChem:CID170775019
|
Local ready
Direct docking supported
|
|
E3L034172
BDB034172
|
BDBM684719
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NCC(F)(F)F)nc4)CC3)cc2[nH]c1=O
|
C24H24F3N5O2 471.483000 |
MTYITXSGKLGUFN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684719; PubChem:CID170775029
|
Local ready
Direct docking supported
|
|
E3L034173
BDB034173
|
BDBM684720
CNC(=O)c1ccc(C2=CCN(Cc3cnc4cc(C(F)(F)F)c(=O)[nH]c4c3)CC2)cn1
|
C22H20F3N5O2 443.429000 |
KMPYHGIMDJXSJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684720; PubChem:CID169090932
|
Local ready
Direct docking supported
|
|
E3L034174
BDB034174
|
US20240228490, Example 85
CCC1Oc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4Cl)CC3)cc2NC1=O
|
C22H24ClN5O3 441.919000 |
YEZVCAHWNIKBIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684721; PubChem:CID170774994
|
Local ready
Direct docking supported
|
|
E3L034175
BDB034175
|
US20240228490, Example 86
CCC1Oc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4C)CC3)cc2NC1=O
|
C23H27N5O3 421.501000 |
NSYDEOZJXXEBQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684722; PubChem:CID166082798
|
Local ready
Direct docking supported
|
|
E3L034176
BDB034176
|
US20240228490, Example 87
CCC1Oc2ccc(CN3CC=C(c4ccc(C(=O)NC)nc4Cl)CC3)cc2NC1=O
|
C23H25ClN4O3 440.931000 |
WQPXXGXIZWACKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684723; PubChem:CID170775003
|
Local ready
Direct docking supported
|
|
E3L034177
BDB034177
|
US20240228490, Example 88
CCC1Oc2ccc(CN3CC=C(c4ccc(C(=O)NC)nc4C)CC3)cc2NC1=O
|
C24H28N4O3 420.513000 |
VYIFEOFSJNHWLO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684724; PubChem:CID166082823
|
Local ready
Direct docking supported
|
|
E3L034178
BDB034178
|
US20240228490, Example 90
CCC1Oc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4F)CC3)cc2NC1=O
|
C22H24FN5O3 425.464000 |
PJOCKGJXLJZVSM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684725; PubChem:CID170775040
|
Local ready
Direct docking supported
|
|
E3L034179
BDB034179
|
BDBM684726
CCn1c(=O)[nH]c2cc(CN3CC=C(c4ccc(C(=O)NC)nc4F)CC3)ccc2c1=O
|
C23H24FN5O3 437.475000 |
DGUKBFOGWMMQRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684726; PubChem:CID168900106
|
Local ready
Direct docking supported
|
|
E3L034180
BDB034180
|
BDBM684727
CCc1cc2ncc(C(C)N3CC=C(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C24H27N5O2 417.513000 |
CIYDTMDLGPOXMN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684727; PubChem:CID166082774
|
Local ready
Direct docking supported
|