| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056521
BDB056521
|
BDBM50445863
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)C2CCCC2)CC1
|
C21H26N4O3 382.464000 |
SSKFDDAFFVPRKX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445863; PubChem:CID135903054
|
Local ready
Direct docking supported
|
|
E3L056522
BDB056522
|
BDBM50445864
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1
|
C20H20N4O4 380.404000 |
VHQKEUZLPYZRLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445864; PubChem:CID135677066
|
Local ready
Direct docking supported
|
|
E3L056523
BDB056523
|
BDBM50445952
NC(=O)n1ccc2ccc(-c3ccc(CN4CCCCC4)cc3)nc21
|
C20H22N4O 334.423000 |
HIBOPBGHLVWFCH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445952; PubChem:CID73669300
|
Local ready
Direct docking supported
|
|
E3L056524
BDB056524
|
BDBM50445953
NC(=O)Cn1ccc2ccc(-c3ccc(CN4CCCC4)cc3)nc21
|
C20H22N4O 334.423000 |
JVBFYZRTFOVXJL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445953; PubChem:CID76313908
|
Local ready
Direct docking supported
|
|
E3L056525
BDB056525
|
6-(4-Phenylphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide
NC(=O)n1ccc2ccc(-c3ccc(-c4ccccc4)cc3)nc21
|
C20H15N3O 313.360000 |
LRCDXRHCSFXMCO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445954; PubChem:CID76328359
|
Local ready
Direct docking supported
|
|
E3L056526
BDB056526
|
6-(4-Methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxamide
COc1ccc(-c2ccc3ccn(C(N)=O)c3n2)cc1
|
C15H13N3O2 267.288000 |
BJEGSFIDIFXPPW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445955; PubChem:CID76335634
|
Local ready
Direct docking supported
|
|
E3L056527
BDB056527
|
6-Piperidin-1-ylpyrrolo[2,3-b]pyridine-1-carboxamide
NC(=O)n1ccc2ccc(N3CCCCC3)nc21
|
C13H16N4O 244.298000 |
REYJYPXSBGNNHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445956; PubChem:CID76321174
|
Local ready
Direct docking supported
|
|
E3L056528
BDB056528
|
6-(2-Fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxamide
NC(=O)n1ccc2ccc(-c3ccccc3F)nc21
|
C14H10FN3O 255.252000 |
JIKXFJGJOUMXHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445957; PubChem:CID76332028
|
Local ready
Direct docking supported
|
|
E3L056529
BDB056529
|
BDBM50445958
NC(=O)n1ccc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)nc21
|
C20H20N4O2 348.406000 |
VBBRXXONEAHWBH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445958; PubChem:CID76324803
|
Local ready
Direct docking supported
|
|
E3L056530
BDB056530
|
Pyrrolo[2,3-b]pyridine-1-carboxamide
NC(=O)n1ccc2cccnc21
|
C8H7N3O 161.164000 |
PWEBVYIWBLUXHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445959; PubChem:CID18921977
|
Local ready
Direct docking supported
|
|
E3L056531
BDB056531
|
BDBM50445960
NC(=O)n1ccc2ccc(-c3ccc(CN4CCOCC4)cc3)nc21
|
C19H20N4O2 336.395000 |
QHIIDJMYFYGHEO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445960; PubChem:CID76332029
|
Local ready
Direct docking supported
|
|
E3L056532
BDB056532
|
BDBM50445961
CN1CCN(Cc2ccc(-c3ccc4ccn(C(N)=O)c4n3)cc2)CC1
|
C20H23N5O 349.438000 |
JKGMZEORGIKORD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445961; PubChem:CID76324804
|
Local ready
Direct docking supported
|
|
E3L056533
BDB056533
|
BDBM50445962
NC(=O)n1ccc2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)C5CC5)CC4)c3)nc21
|
C23H22FN5O3 435.459000 |
VOHFXWGNRCKJKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445962; PubChem:CID76310217
|
Local ready
Direct docking supported
|
|
E3L056534
BDB056534
|
6-(1H-pyrrol-2-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
NC(=O)n1ccc2ccc(-c3ccc[nH]3)nc21
|
C12H10N4O 226.239000 |
PQZCWXAMROTGOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445963; PubChem:CID76321172
|
Local ready
Direct docking supported
|
|
E3L056535
BDB056535
|
BDBM50445964
CN(C)c1ccc(-c2ccc3ccn(C(N)=O)c3n2)cc1
|
C16H16N4O 280.331000 |
UHPOIQUQVSBNKR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445964; PubChem:CID76310216
|
Local ready
Direct docking supported
|
|
E3L056536
BDB056536
|
BDBM50445965
CN1CCN(c2ccc3ccn(C(N)=O)c3n2)CC1
|
C13H17N5O 259.313000 |
YXYLHTGGPKHQSK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445965; PubChem:CID76317441
|
Local ready
Direct docking supported
|
|
E3L056537
BDB056537
|
BDBM50445966
CN(C)Cc1ccc(-c2ccc3ccn(C(N)=O)c3n2)cc1
|
C17H18N4O 294.358000 |
ANWSEBBSNCTOTG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445966; PubChem:CID76321173
|
Local ready
Direct docking supported
|
|
E3L056538
BDB056538
|
BDBM50445967
NC(=O)n1ccc2ccc(-c3ccc(CN4CCCC4)cc3)nc21
|
C19H20N4O 320.396000 |
MBEJLTVHGUPNIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445967; PubChem:CID76335635
|
Local ready
Direct docking supported
|
|
E3L056539
BDB056539
|
6-(4-Fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxamide
NC(=O)n1ccc2ccc(-c3ccc(F)cc3)nc21
|
C14H10FN3O 255.252000 |
NLSRKRGGSDVZJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445968; PubChem:CID76313907
|
Local ready
Direct docking supported
|
|
E3L056540
BDB056540
|
6-Phenylpyrrolo[2,3-b]pyridine-1-carboxamide
NC(=O)n1ccc2ccc(-c3ccccc3)nc21
|
C14H11N3O 237.262000 |
YPDGIAGNYKWFKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445969; PubChem:CID76317440
|
Local ready
Direct docking supported
|