| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044041
BDB044041
|
5-Amino-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CC1Cc2cc(N)cc(C(N)=O)c2O1
|
C10H12N2O2 192.218000 |
MXRQCWTYDXRECS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020613; PubChem:CID90644829
|
Local ready
Direct docking supported
|
|
E3L044042
BDB044042
|
5-Fluoro-2,3-dihydro-1-benzofuran-7-carboxamide
NC(=O)c1cc(F)cc2c1OCC2
|
C9H8FNO2 181.166000 |
HZBFYDISTFMZTO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020614; PubChem:CID60150705
|
Local ready
Direct docking supported
|
|
E3L044043
BDB044043
|
4-Amino-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CC1Cc2c(N)ccc(C(N)=O)c2O1
|
C10H12N2O2 192.218000 |
CDRFUMTWVMQNON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020615; PubChem:CID90644830
|
Local ready
Direct docking supported
|
|
E3L044044
BDB044044
|
1-[3-(2,3-Dioxoindol-1-yl)propyl]indazole-3-carboxamide
NC(=O)c1nn(CCCN2C(=O)C(=O)c3ccccc32)c2ccccc12
|
C19H16N4O3 348.362000 |
HBBPSNQKRMZELJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020616; PubChem:CID57333526
|
Local ready
Direct docking supported
|
|
E3L044045
BDB044045
|
7-Benzofurancarboxamide, 2,3-dihydro-3-oxo-
NC(=O)c1cccc2c1OCC2=O
|
C9H7NO3 177.159000 |
XHAYQYHWMQRNRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020617; PubChem:CID90644831
|
Local ready
Direct docking supported
|
|
E3L044046
BDB044046
|
(2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide
NC(=O)c1cccc2c1O/C(=C\c1ccccc1)C2=O
|
C16H11NO3 265.268000 |
BFDGEDXDDHLCNG-LCYFTJDESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020618; PubChem:CID90644832
|
Local ready
Direct docking supported
|
|
E3L044047
BDB044047
|
BDBM50020619
NC(=O)c1cccc2c1O/C(=C\c1cccc(Oc3ccccc3)c1)C2=O
|
C22H15NO4 357.365000 |
UVEWUIZNPYCRJW-UYRXBGFRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020619; PubChem:CID90644833
|
Local ready
Direct docking supported
|
|
E3L044048
BDB044048
|
BDBM50020620
NC(=O)c1cccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O
|
C16H10ClNO3 299.713000 |
FGZBIWIBURSQSP-JYRVWZFOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020620; PubChem:CID90644834
|
Local ready
Direct docking supported
|
|
E3L044049
BDB044049
|
BDBM50020621
COc1cc(/C=C2\Oc3c(C(N)=O)cccc3C2=O)ccc1O
|
C17H13NO5 311.293000 |
WTCUWVVCLKKRIJ-ZSOIEALJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020621; PubChem:CID90644835
|
Local ready
Direct docking supported
|
|
E3L044050
BDB044050
|
BDBM50020622
COc1ccc(/C=C2\Oc3c(C(N)=O)cccc3C2=O)cc1
|
C17H13NO4 295.294000 |
OWNILGXARMELDO-ZROIWOOFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020622; PubChem:CID90644836
|
Local ready
Direct docking supported
|
|
E3L044051
BDB044051
|
BDBM50020623
NC(=O)c1cccc2c1O/C(=C\c1ccccc1O)C2=O
|
C16H11NO4 281.267000 |
CWMOTFOFKSSLOC-JYRVWZFOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020623; PubChem:CID90644837
|
Local ready
Direct docking supported
|
|
E3L044052
BDB044052
|
BDBM50020624
NC(=O)c1cccc2c1O/C(=C\c1cccc(O)c1)C2=O
|
C16H11NO4 281.267000 |
KJKXFRNMGQRVHA-JYRVWZFOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020624; PubChem:CID90644838
|
Local ready
Direct docking supported
|
|
E3L044053
BDB044053
|
BDBM50020625
NC(=O)c1cccc2c1O/C(=C\c1ccc(O)cc1)C2=O
|
C16H11NO4 281.267000 |
GDNQOWJOOJVFTM-JYRVWZFOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020625; PubChem:CID90644839
|
Local ready
Direct docking supported
|
|
E3L044054
BDB044054
|
BDBM50020626
NC(=O)c1cccc2c1O/C(=C\c1ccc(O)c(O)c1)C2=O
|
C16H11NO5 297.266000 |
HBOFUXHOPLHDJN-QPEQYQDCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020626; PubChem:CID90644840
|
Local ready
Direct docking supported
|
|
E3L044055
BDB044055
|
BDBM50020627
NC(=O)c1cccc2c1O/C(=C\c1ccc(O)cc1O)C2=O
|
C16H11NO5 297.266000 |
IANCBPDHSPOPRZ-MLPAPPSSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020627; PubChem:CID90644841
|
Local ready
Direct docking supported
|
|
E3L044056
BDB044056
|
BDBM50020628
NC(=O)c1cccc2c1O/C(=C\c1cc(O)cc(O)c1)C2=O
|
C16H11NO5 297.266000 |
ASYLXRWIQKENPT-MLPAPPSSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020628; PubChem:CID90644842
|
Local ready
Direct docking supported
|
|
E3L044057
BDB044057
|
BDBM50020629
NC(=O)c1cccc2c1O/C(=C\c1cc(O)ccc1O)C2=O
|
C16H11NO5 297.266000 |
OCFXNBBOIIKDFP-QPEQYQDCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020629; PubChem:CID90644843
|
Local ready
Direct docking supported
|
|
E3L044058
BDB044058
|
BDBM50020630
NC(=O)c1cccc2c1O/C(=C\c1cccc(OCCN3CCOCC3)c1)C2=O
|
C22H22N2O5 394.427000 |
SXRQHEXKULNRPB-RGEXLXHISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020630; PubChem:CID90644844
|
Local ready
Direct docking supported
|
|
E3L044059
BDB044059
|
BDBM50020631
NC(=O)c1cccc2c1O/C(=C\c1cccc(OCCN3CCCCC3)c1)C2=O
|
C23H24N2O4 392.455000 |
XYYXRJFUXCVMIR-HKWRFOASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020631; PubChem:CID90644845
|
Local ready
Direct docking supported
|
|
E3L044060
BDB044060
|
BDBM50020632
NC(=O)c1cccc2c1O/C(=C\c1ccc(OCCN3CCCCC3)cc1)C2=O
|
C23H24N2O4 392.455000 |
NFUGHAFAKXQGEV-HKWRFOASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020632; PubChem:CID90644846
|
Local ready
Direct docking supported
|