| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063441
BDB063441
|
BDBM50618086
CN(c1ccnc(Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)n1)c1cc(C(C)(C)C)n(C)n1
|
C26H26F2N8 488.546000 |
FHYSKRCUESMFEG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618086; PubChem:CID172439412
|
Local ready
Direct docking supported
|
|
E3L063442
BDB063442
|
BDBM50618087
CN(c1ccc(Cl)cc1)c1ccnc(Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)n1
|
C24H17ClF2N6 462.891000 |
NJLMHMDGCCRWFC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618087; PubChem:CID172458169
|
Local ready
Direct docking supported
|
|
E3L063443
BDB063443
|
BDBM50618088
CC(C)c1ccc(N(C)c2ccnc(Nc3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cc3)n2)cc1
|
C27H24F2N6 470.527000 |
YAARIUWCZZVAFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618088; PubChem:CID172457392
|
Local ready
Direct docking supported
|
|
E3L063444
BDB063444
|
BDBM50618089
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6cc(F)c(F)cc6[nH]5)c(Cl)c4)n3)cc2nn1C
|
C27H21ClF2N8 530.970000 |
XQFNOSLDNBPLNW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618089; PubChem:CID172448862
|
Local ready
Direct docking supported
|
|
E3L063445
BDB063445
|
BDBM50618090
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6cc(F)c(F)cc6[nH]5)c(C(F)(F)F)c4)n3)cc2nn1C
|
C28H21F5N8 564.522000 |
OUYAJDGIWDVAJZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618090; PubChem:CID172460848
|
Local ready
Direct docking supported
|
|
E3L063446
BDB063446
|
BDBM50618091
COc1cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)ccc1-c1nc2cc(F)c(F)cc2[nH]1
|
C28H24F2N8O 526.551000 |
NFBXUOSSYJJKFK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618091; PubChem:CID172450523
|
Local ready
Direct docking supported
|
|
E3L063447
BDB063447
|
BDBM50618092
Cc1c2ccc(N(C)c3ccnc(Nc4cccc(-c5nc6cc(F)c(F)cc6[nH]5)c4)n3)cc2nn1C
|
C27H22F2N8 496.525000 |
FSJBONLMIKLDFZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618092; PubChem:CID172441037
|
Local ready
Direct docking supported
|
|
E3L063448
BDB063448
|
BDBM50618093
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1-c1nc2cc(F)c(F)cc2[nH]1
|
C28H24F2N8 510.552000 |
VSWDXFSNRCBKQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618093; PubChem:CID172444193
|
Local ready
Direct docking supported
|
|
E3L063449
BDB063449
|
BDBM50618094
COc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1Nc1nccc(N(C)c2ccc3c(C)n(C)nc3c2)n1
|
C28H24F2N8O 526.551000 |
ACVZUAKWEUBENM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618094; PubChem:CID172458473
|
Local ready
Direct docking supported
|
|
E3L063450
BDB063450
|
BDBM50618095
CN(c1ccc(N2CCOCC2)c(F)c1)c1ccnc(Nc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)n1
|
C29H27FN8O2 538.587000 |
XKZIVGBNMQBNTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618095; PubChem:CID172467073
|
Local ready
Direct docking supported
|
|
E3L063451
BDB063451
|
BDBM50618096
CN(c1ccnc(Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n1)c1cc(C(C)(C)C)n(C)n1
|
C26H28N8 452.566000 |
NRTPBRRHRRGKAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618096; PubChem:CID172460772
|
Local ready
Direct docking supported
|
|
E3L063452
BDB063452
|
BDBM50618097
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6ccccc6[nH]5)c(Cl)c4)n3)cc2nn1C
|
C27H23ClN8 494.990000 |
OWBSWIZPCPBVKE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618097; PubChem:CID172465661
|
Local ready
Direct docking supported
|
|
E3L063453
BDB063453
|
BDBM50618098
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6ccccc6[nH]5)c(C(F)(F)F)c4)n3)cc2nn1C
|
C28H23F3N8 528.542000 |
RAKIFLSQZDQCOI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618098; PubChem:CID172442678
|
Local ready
Direct docking supported
|
|
E3L063454
BDB063454
|
BDBM50618099
Cc1c2ccc(N(C)c3ccnc(Nc4cccc(-c5nc6ccccc6[nH]5)c4)n3)cc2nn1C
|
C27H24N8 460.545000 |
SLIWHRPGJDECPJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618099; PubChem:CID172460363
|
Local ready
Direct docking supported
|
|
E3L063455
BDB063455
|
BDBM50618100
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1-c1nc2ccccc2[nH]1
|
C28H26N8 474.572000 |
MFCMQBKWVQIEDX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618100; PubChem:CID172461987
|
Local ready
Direct docking supported
|
|
E3L063456
BDB063456
|
BDBM50618101
COc1ccc(-c2nc3ccccc3[nH]2)cc1Nc1nccc(N(C)c2ccc3c(C)n(C)nc3c2)n1
|
C28H26N8O 490.571000 |
NCJJYVVWWSWNKW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618101; PubChem:CID172462241
|
Local ready
Direct docking supported
|
|
E3L063457
BDB063457
|
BDBM50618283
C[C@@H]1CC(=O)Cc2cccc(C(=O)NCCNC(=O)CSC(=S)c3ccccc3)c2N1
|
C23H25N3O3S2 455.605000 |
IOQGILKBNUQVAH-OAHLLOKOSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50618283; PubChem:CID172442506
|
Local ready
Direct docking supported
|
|
E3L063458
BDB063458
|
BDBM50619043
CCC1(CCOc2cc(CC(=O)O)ccc2Cl)CCN(c2nc3ccc(Cl)cc3s2)CC1
|
C24H26Cl2N2O3S 493.456000 |
VGXPFURVMBGRBR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619043; PubChem:CID57966440
|
Local ready
Direct docking supported
|
|
E3L063459
BDB063459
|
BDBM50619044
CCCC1(CCOc2cc(CC(=O)O)ccc2Cl)CCN(c2nc3ccc(Cl)cc3s2)CC1
|
C25H28Cl2N2O3S 507.483000 |
FDIYCRKTJIMXPK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619044; PubChem:CID57966845
|
Local ready
Direct docking supported
|
|
E3L063460
BDB063460
|
BDBM50619045
CCCCC1(CCOc2cc(CC(=O)O)ccc2Cl)CCN(c2nc3ccc(Cl)cc3s2)CC1
|
C26H30Cl2N2O3S 521.510000 |
IOUDYANDPDXEAG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619045; PubChem:CID57966768
|
Local ready
Direct docking supported
|