| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001101
BDB001101
|
BDBM27685
CN(C)Cc1ccc(-c2[nH]c3cccc4c3c2CCNC4=O)cc1
|
C20H21N3O 319.408000 |
SNEIEJXAZHWQSB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27685; PubChem:CID10980119
|
Local ready
Direct docking supported
|
|
E3L001102
BDB001102
|
BDBM27686
Cc1nn(C)c2nc3c(c(O)c12)CSC3
|
C10H11N3OS 221.285000 |
ZWNLFVIBRHFZCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27686; PubChem:CID135452280
|
Local ready
Direct docking supported
|
|
E3L001103
BDB001103
|
BDBM27687
Cc1nn(C)c2nc3c(c(O)c12)CCC3
|
C11H13N3O 203.245000 |
KFOFHRKQORYZQW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27687; PubChem:CID135875690
|
Local ready
Direct docking supported
|
|
E3L001104
BDB001104
|
BDBM27688
Cc1nn(C)c2nc3c(c(O)c12)CCCC3
|
C12H15N3O 217.272000 |
BRGVVESKICPCPN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27688; PubChem:CID135875691
|
Local ready
Direct docking supported
|
|
E3L001105
BDB001105
|
BDBM27689
Cc1nn(C)c2[nH]c(=O)c3c(c12)CSC3
|
C10H11N3OS 221.285000 |
NLYHUQDZTGYOSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27689; PubChem:CID135875692
|
Local ready
Direct docking supported
|
|
E3L001106
BDB001106
|
BDBM27690
Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CSC3
|
C15H13N3OS 283.356000 |
MYRWQMFYJXEWDH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27690; PubChem:CID135875693
|
Local ready
Direct docking supported
|
|
E3L001107
BDB001107
|
BDBM27691
Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CSC3
|
C13H11N3OS2 289.385000 |
XZSCUDQNEVBCHZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27691; PubChem:CID135875694
|
Local ready
Direct docking supported
|
|
E3L001108
BDB001108
|
BDBM27692
Cc1nn(C(C)(C)C)c2[nH]c(=O)c3c(c12)CSC3
|
C13H17N3OS 263.366000 |
LHWBAXMQEIWZPH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27692; PubChem:CID135875695
|
Local ready
Direct docking supported
|
|
E3L001109
BDB001109
|
BDBM27693
Cc1nn(-c2ccccc2)c2[nH]c(=O)c3c(c12)CSC3
|
C15H13N3OS 283.356000 |
BLQDESSZWIYFSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27693; PubChem:CID135875696
|
Local ready
Direct docking supported
|
|
E3L001110
BDB001110
|
BDBM27694
Cc1nn(C)c2[nH]c(=O)c3c(c12)CCC3
|
C11H13N3O 203.245000 |
UMYDLZXVCWINKK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27694; PubChem:CID135621700
|
Local ready
Direct docking supported
|
|
E3L001111
BDB001111
|
BDBM27695
Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CCC3
|
C16H15N3O 265.316000 |
KNFQMIQCXONZJE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27695; PubChem:CID135875697
|
Local ready
Direct docking supported
|
|
E3L001112
BDB001112
|
BDBM27696
Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CCC3
|
C14H13N3OS 271.345000 |
BJADFRXBGZEYMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27696; PubChem:CID135875698
|
Local ready
Direct docking supported
|
|
E3L001113
BDB001113
|
BDBM27697
Cc1nn(C(C)(C)C)c2[nH]c(=O)c3c(c12)CCC3
|
C14H19N3O 245.326000 |
AKDCMZFIZSCRIX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27697; PubChem:CID135875699
|
Local ready
Direct docking supported
|
|
E3L001114
BDB001114
|
BDBM27698
Cc1nn(-c2ccccc2)c2[nH]c(=O)c3c(c12)CCC3
|
C16H15N3O 265.316000 |
OFCHNKYGEUCALL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27698; PubChem:CID135875700
|
Local ready
Direct docking supported
|
|
E3L001115
BDB001115
|
BDBM27699
O=c1[nH]c2c(c(-c3ccccc3)nn2-c2ccccc2)c2c1CCC2
|
C21H17N3O 327.387000 |
BPRMJDMDKWHNRP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27699; PubChem:CID135875701
|
Local ready
Direct docking supported
|
|
E3L001116
BDB001116
|
BDBM27700
Cc1nn(C)c2[nH]c(=O)c3c(c12)CCCC3
|
C12H15N3O 217.272000 |
FWZAAFCZCMNZFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27700; PubChem:CID135512456
|
Local ready
Direct docking supported
|
|
E3L001117
BDB001117
|
BDBM27701
Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CCCC3
|
C17H17N3O 279.343000 |
ATWNWCGXZSMGSM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27701; PubChem:CID135875702
|
Local ready
Direct docking supported
|
|
E3L001118
BDB001118
|
BDBM27702
Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CCCC3
|
C15H15N3OS 285.372000 |
CYNIHFHYXZPNDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27702; PubChem:CID135875703
|
Local ready
Direct docking supported
|
|
E3L001119
BDB001119
|
BDBM27703
Cc1nn(-c2ccccc2)c2[nH]c(=O)c3c(c12)CCCC3
|
C17H17N3O 279.343000 |
FICAZDAXYXJREF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27703; PubChem:CID135875704
|
Local ready
Direct docking supported
|
|
E3L001120
BDB001120
|
BDBM27704
O=c1[nH]c2c(c(-c3ccccc3)nn2-c2ccccc2)c2c1CCCC2
|
C22H19N3O 341.414000 |
JSSDINRJYSMIFT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27704; PubChem:CID135875705
|
Local ready
Direct docking supported
|