| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009001
BDB009001
|
BDBM214072
COC(=O)c1csc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C15H16N2O3S 304.371000 |
UGNDSJASVGJBNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214072; PubChem:CID69044843
|
Local ready
Direct docking supported
|
|
E3L009002
BDB009002
|
BDBM214073
NCCOCCOCCN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C27H34FN5O4 511.598000 |
HCVSUJCWXQEKFH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214073; PubChem:CID69089696
|
Local ready
Direct docking supported
|
|
E3L009003
BDB009003
|
BDBM214074
CC1(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C20H23N3O2 337.423000 |
XJGQQPAZINOBQV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214074; PubChem:CID69042912
|
Local ready
Direct docking supported
|
|
E3L009004
BDB009004
|
BDBM214075
CC1CC1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C20H23N3O2 337.423000 |
LHYHODMQVTXORP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214075; PubChem:CID69043353
|
Local ready
Direct docking supported
|
|
E3L009005
BDB009005
|
BDBM214076
CCOCCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C20H25N3O3 355.438000 |
SWCJFRBKSGWGDL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214076; PubChem:CID69043483
|
Local ready
Direct docking supported
|
|
E3L009006
BDB009006
|
BDBM214077
O=C1CC[C@@H](C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)N1
|
C20H22N4O3 366.421000 |
AERMOPXIOYIVEF-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214077; PubChem:CID69045332
|
Local ready
Direct docking supported
|
|
E3L009007
BDB009007
|
BDBM214078
O=C1CC[C@H](C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)N1
|
C20H22N4O3 366.421000 |
AERMOPXIOYIVEF-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214078; PubChem:CID69042898
|
Local ready
Direct docking supported
|
|
E3L009008
BDB009008
|
BDBM214079
NC(=O)C1(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C20H22N4O3 366.421000 |
UAMMGQQNFZFVMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214079; PubChem:CID69090544
|
Local ready
Direct docking supported
|
|
E3L009009
BDB009009
|
BDBM214080
O=C(COCc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O3 403.482000 |
BURWBJWUOMSDRP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214080; PubChem:CID69046660
|
Local ready
Direct docking supported
|
|
E3L009010
BDB009010
|
BDBM214081
O=C(CCc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O2 387.483000 |
ZXVWCPFKZAMRMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214081; PubChem:CID69044242
|
Local ready
Direct docking supported
|
|
E3L009011
BDB009011
|
BDBM214082
COc1ccc(OC)c(CCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C26H29N3O4 447.535000 |
DGIKEUVECGBVQR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214082; PubChem:CID69045513
|
Local ready
Direct docking supported
|
|
E3L009012
BDB009012
|
BDBM214083
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)C1(c2ccccc2)CC1
|
C25H25N3O2 399.494000 |
ZBGGADGWZKIMAN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214083; PubChem:CID69090619
|
Local ready
Direct docking supported
|
|
E3L009013
BDB009013
|
BDBM214084
CC[C@H](C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1
|
C25H27N3O2 401.510000 |
ZTEOTPHJIHTFSF-FQEVSTJZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214084; PubChem:CID69044286
|
Local ready
Direct docking supported
|
|
E3L009014
BDB009014
|
BDBM214085
O=C(CCCc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H27N3O2 401.510000 |
WBANDHKIMUZCAN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214085; PubChem:CID69047862
|
Local ready
Direct docking supported
|
|
E3L009015
BDB009015
|
BDBM214086
Cc1cccc(OCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C24H25N3O3 403.482000 |
VJBCYPGNBSWHBZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214086; PubChem:CID69043474
|
Local ready
Direct docking supported
|
|
E3L009016
BDB009016
|
BDBM214087
Cc1ccccc1OCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O3 403.482000 |
JYCWMEMSOPEUJI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214087; PubChem:CID69043929
|
Local ready
Direct docking supported
|
|
E3L009017
BDB009017
|
BDBM214088
Cc1ccc(OCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C24H25N3O3 403.482000 |
UFYVASPDELLSPI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214088; PubChem:CID69043752
|
Local ready
Direct docking supported
|
|
E3L009018
BDB009018
|
BDBM214089
CO[C@@H](C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1
|
C24H25N3O3 403.482000 |
NMBMIQYSIGQRKT-JOCHJYFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214089; PubChem:CID69044581
|
Local ready
Direct docking supported
|
|
E3L009019
BDB009019
|
BDBM214090
CO[C@H](C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1
|
C24H25N3O3 403.482000 |
NMBMIQYSIGQRKT-QFIPXVFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214090; PubChem:CID69047498
|
Local ready
Direct docking supported
|
|
E3L009020
BDB009020
|
BDBM214091
O=C(CCOc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O3 403.482000 |
PPWNJGVHUYVDHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214091; PubChem:CID69047780
|
Local ready
Direct docking supported
|