| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001121
BDB001121
|
BDBM27705
O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2ccccc12
|
C22H23N3O 345.446000 |
YOLWLBZFKFREBH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27705; PubChem:CID135440318
|
Local ready
Direct docking supported
|
|
E3L001122
BDB001122
|
BDBM27706
O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2c(Cl)cccc12
|
C22H22ClN3O 379.891000 |
RTHFDNGPDMXTQU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27706; PubChem:CID135537658
|
Local ready
Direct docking supported
|
|
E3L001123
BDB001123
|
BDBM27707
N#Cc1ccc(C2=CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)cc1
|
C23H21ClN4O 404.901000 |
WBKKUQLZAHKOBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27707; PubChem:CID135875706
|
Local ready
Direct docking supported
|
|
E3L001124
BDB001124
|
BDBM27708
O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12
|
C22H21ClFN3O 397.881000 |
ACCULLWIBRVLMN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27708; PubChem:CID135515514
|
Local ready
Direct docking supported
|
|
E3L001125
BDB001125
|
BDBM27709
Cc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccc(F)cc4)CC3)nc12
|
C23H24FN3O 377.463000 |
LOFDUAJQRUYHBR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27709; PubChem:CID135460986
|
Local ready
Direct docking supported
|
|
E3L001126
BDB001126
|
BDBM27710
O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2cccc(Cl)c12
|
C22H22ClN3O 379.891000 |
QJGMBDBIOLISMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27710; PubChem:CID135444661
|
Local ready
Direct docking supported
|
|
E3L001127
BDB001127
|
FR-255595
O=c1[nH]c(CCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12
|
C21H23ClN4O 382.895000 |
WNEWPRAKPXLTSH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27711; PubChem:CID135532443
|
Local ready
Direct docking supported
|
|
E3L001128
BDB001128
|
5-Chloro-2-methylquinazolin-4(3H)-one
Cc1nc2cccc(Cl)c2c(=O)[nH]1
|
C9H7ClN2O 194.621000 |
GKDIFKSYPXLUJS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27712; PubChem:CID135875707
|
Local ready
Direct docking supported
|
|
E3L001129
BDB001129
|
BDBM27713
O=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc12
|
C23H25N3O2 375.472000 |
HWAMZZDVCNUNNL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27713; PubChem:CID19087731
|
Local ready
Direct docking supported
|
|
E3L001130
BDB001130
|
BDBM27714
O=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2cccc(F)c12
|
C23H24FN3O2 393.462000 |
PNPFDRCIGCUCMN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27714; PubChem:CID448890
|
Local ready
Direct docking supported
|
|
E3L001131
BDB001131
|
BDBM27715
O=c1[nH]c(=O)n(CCCCC2CC=C(c3ccccc3)CC2)c2cccc(F)c12
|
C24H25FN2O2 392.474000 |
LCEAAICEVKTOMA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27715; PubChem:CID25218516
|
Local ready
Direct docking supported
|
|
E3L001132
BDB001132
|
BDBM27716
O=c1[nH]nc(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc12
|
C23H25N3O 359.473000 |
LIUHMYXLEFZHEQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27716; PubChem:CID10237099
|
Local ready
Direct docking supported
|
|
E3L001133
BDB001133
|
BDBM27717
O=c1[nH]nc(CCCCN2CC=C(c3ccc(F)cc3)CC2)c2ccccc12
|
C23H24FN3O 377.463000 |
QJXHLKDIFGACHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27717; PubChem:CID25218517
|
Local ready
Direct docking supported
|
|
E3L001134
BDB001134
|
BDBM27718
O=c1[nH]c2ccc(CCCN3CC=C(c4ccccc4)CC3)cc2c2ccccc12
|
C27H26N2O 394.518000 |
ANKUJWLWOYNWFQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27718; PubChem:CID10216071
|
Local ready
Direct docking supported
|
|
E3L001135
BDB001135
|
3-Phenylquinoxaline-5-carboxamide
NC(=O)c1cccc2ncc(-c3ccccc3)nc12
|
C15H11N3O 249.273000 |
ZEZXGYQMUNSKBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27719; PubChem:CID11184249
|
Local ready
Direct docking supported
|
|
E3L001136
BDB001136
|
2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
NC(=O)c1cccc2ncc(-c3ccc(Cl)cc3)nc12
|
C15H10ClN3O 283.718000 |
FLYGLPYJEQPCFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27720; PubChem:CID657038
|
Local ready
Direct docking supported
|
|
E3L001137
BDB001137
|
3-(4-Cyanophenyl)quinoxaline-5-carboxamide
N#Cc1ccc(-c2cnc3cccc(C(N)=O)c3n2)cc1
|
C16H10N4O 274.283000 |
WCZAODKSIJSHQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27721; PubChem:CID25218518
|
Local ready
Direct docking supported
|
|
E3L001138
BDB001138
|
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
NC(=O)c1cccc2ncc(-c3ccc(C(F)(F)F)cc3)nc12
|
C16H10F3N3O 317.270000 |
TVFZZQMNVBEMRP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27722; PubChem:CID9922953
|
Local ready
Direct docking supported
|
|
E3L001139
BDB001139
|
3-(4-Methoxyphenyl)quinoxaline-5-carboxamide
COc1ccc(-c2cnc3cccc(C(N)=O)c3n2)cc1
|
C16H13N3O2 279.299000 |
XLKSSLKAULIQEE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27723; PubChem:CID9965481
|
Local ready
Direct docking supported
|
|
E3L001140
BDB001140
|
3-(4-Aminophenyl)quinoxaline-5-carboxamide
NC(=O)c1cccc2ncc(-c3ccc(N)cc3)nc12
|
C15H12N4O 264.288000 |
JCXJUCVUESBKLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27724; PubChem:CID25218519
|
Local ready
Direct docking supported
|