| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045581
BDB045581
|
BDBM50093372
NC(=O)c1cccc2nc(-c3ccc(Cl)cc3)[nH]c12
|
C14H10ClN3O 271.707000 |
BVFZCUNDBLZUDA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093372; PubChem:CID10659747
|
Local ready
Direct docking supported
|
|
E3L045582
BDB045582
|
2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
COc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1
|
C15H13N3O2 267.288000 |
NVVWVYYHTKCIAE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093373; PubChem:CID1511
|
Local ready
Direct docking supported
|
|
E3L045583
BDB045583
|
2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
NC(=O)c1cccc2nc(-c3ccc(O)cc3)[nH]c12
|
C14H11N3O2 253.261000 |
KOUGHMOSYJCJLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093374; PubChem:CID135546482
|
Local ready
Direct docking supported
|
|
E3L045584
BDB045584
|
BDBM50093375
NC(=O)c1cccc2[nH]c(-c3cccc(O)c3)nc12
|
C14H11N3O2 253.261000 |
AYXVDURPJMYTRN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093375; PubChem:CID10634624
|
Local ready
Direct docking supported
|
|
E3L045585
BDB045585
|
BDBM50093376
NC(=O)c1cccc2[nH]c(-c3ccccc3C(F)(F)F)nc12
|
C15H10F3N3O 305.259000 |
PMISIOUALHNLES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093376; PubChem:CID10828391
|
Local ready
Direct docking supported
|
|
E3L045586
BDB045586
|
2-(4-Nitrophenyl)-1H-benzo[d]imidazole-4-carboxamide
NC(=O)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12
|
C14H10N4O3 282.259000 |
AXPSEYPVFKMYID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093377; PubChem:CID10085156
|
Local ready
Direct docking supported
|
|
E3L045587
BDB045587
|
BDBM50093378
NC(=O)c1cccc2[nH]c(-c3ccccc3CO)nc12
|
C15H13N3O2 267.288000 |
UZFHXNFVLKUHQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093378; PubChem:CID10683256
|
Local ready
Direct docking supported
|
|
E3L045588
BDB045588
|
BDBM50093379
N#Cc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C15H10N4O 262.272000 |
HRZOSZZKYDGKSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093379; PubChem:CID10730177
|
Local ready
Direct docking supported
|
|
E3L045589
BDB045589
|
BDBM50093380
C=CCOc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1OC
|
C18H17N3O3 323.352000 |
LWNAOGRCAPCYPN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093380; PubChem:CID10615886
|
Local ready
Direct docking supported
|
|
E3L045590
BDB045590
|
BDBM50093381
CC(C)[Si](OCc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1)(C(C)C)C(C)C
|
C24H33N3O2Si 423.633000 |
FDPOAYXCTKRPRX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093381; PubChem:CID10598394
|
Local ready
Direct docking supported
|
|
E3L045591
BDB045591
|
BDBM50093382
NC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12
|
C15H10F3N3O 305.259000 |
BWXFCEOBQGOLJF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093382; PubChem:CID10852098
|
Local ready
Direct docking supported
|
|
E3L045592
BDB045592
|
BDBM50093383
NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc12
|
C15H10F3N3O 305.259000 |
NTGUQSZMGNQYBK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093383; PubChem:CID10804503
|
Local ready
Direct docking supported
|
|
E3L045593
BDB045593
|
BDBM50093384
COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1O
|
C15H13N3O3 283.287000 |
MJFFXOLVMPBDIF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093384; PubChem:CID10684365
|
Local ready
Direct docking supported
|
|
E3L045594
BDB045594
|
BDBM50093385
NC(=O)c1cccc2[nH]c(-c3ccccc3F)nc12
|
C14H10FN3O 255.252000 |
GBUMYZNGZUOLIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093385; PubChem:CID10824891
|
Local ready
Direct docking supported
|
|
E3L045595
BDB045595
|
BDBM50093386
COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1O
|
C15H13N3O3 283.287000 |
DHZPWLFSOLXEBY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093386; PubChem:CID135529703
|
Local ready
Direct docking supported
|
|
E3L045596
BDB045596
|
BDBM50093387
COc1ccc(-c2nc3c(C(N)=O)cccc3n2C)cc1
|
C16H15N3O2 281.315000 |
OUYLJUGKAHFFAR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093387; PubChem:CID10540772
|
Local ready
Direct docking supported
|
|
E3L045597
BDB045597
|
4-(4-Carbamoyl-1H-1,3-benzodiazol-2-YL)benzoic acid
NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)O)cc3)nc12
|
C15H11N3O3 281.271000 |
UKWIDUMSXQQLKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093388; PubChem:CID10755250
|
Local ready
Direct docking supported
|
|
E3L045598
BDB045598
|
BDBM50093471
CC[C@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(-c2ccc(OC(C)(C)C(=O)O)cc2)no1
|
C33H35N3O9 617.655000 |
WSCPDRVLOQMVLP-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50093471; PubChem:CID78319339
|
Local ready
Direct docking supported
|
|
E3L045599
BDB045599
|
BDBM50093472
CC[C@@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(-c2ccc(OC(C)(C)C(=O)O)cc2)no1
|
C33H35N3O9 617.655000 |
WSCPDRVLOQMVLP-MUUNZHRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50093472; PubChem:CID78319338
|
Local ready
Direct docking supported
|
|
E3L045600
BDB045600
|
Arhalofenate
CC(=O)NCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
|
C19H17ClF3NO4 415.795000 |
BJBCSGQLZQGGIQ-QGZVFWFLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50093473; PubChem:CID12082259
|
Local ready
Direct docking supported
|