| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065001
BDB065001
|
BDBM50644834
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CC2(C#N)CC2)C(C)(C)C)cc1
|
C28H35N5O4S 537.686000 |
MORRZWSYKJCXHP-ZFGGDYGUSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM50644834; PubChem:CID177383342
|
Local ready
Direct docking supported
|
|
E3L065002
BDB065002
|
BDBM50645053
NC(=O)c1cccc2[nH]c(-c3ccc(NCc4ccc(C(=O)Nc5ccccc5N)cc4)cc3)nc12
|
C28H24N6O2 476.540000 |
FOWUOSHNILCZNQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645053; PubChem:CID177377005
|
Local ready
Direct docking supported
|
|
E3L065003
BDB065003
|
BDBM50645119
O=C(Cn1c(=S)n(-c2ccccc2)c(=O)c2ccccc21)Nc1ccc2c(c1)C(=O)c1ccccc1C2
|
C30H21N3O3S 503.583000 |
BPYPZGAULWVHPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645119; PubChem:CID177377065
|
Local ready
Direct docking supported
|
|
E3L065004
BDB065004
|
BDBM50645120
O=C(Cn1c(=S)n(-c2ccccc2)c(=O)c2ccccc21)Nc1cccc2ccccc12
|
C26H19N3O2S 437.524000 |
CKRYXIPHARJMRT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645120; PubChem:CID177377066
|
Local ready
Direct docking supported
|
|
E3L065005
BDB065005
|
BDBM50645121
O=C(NCCc1ccc(F)cc1)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C24H19F2N3O2 419.431000 |
HLTXZYTYRLKJSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645121; PubChem:CID177377067
|
Local ready
Direct docking supported
|
|
E3L065006
BDB065006
|
BDBM50645122
O=C1NCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Nc2ccccc21
|
C22H17F3N2O 382.385000 |
UNJCZSCIWNQLFD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645122; PubChem:CID177377068
|
Local ready
Direct docking supported
|
|
E3L065007
BDB065007
|
BDBM50645123
CCOC(=O)c1ccc(NC(=O)CS/C(=C\C(=O)c2sc(Nc3ccccn3)nc2C)c2ccccc2F)cc1
|
C29H25FN4O4S2 576.675000 |
QCHBLXXRYMQQPH-JLPGSUDCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645123; PubChem:CID177377069
|
Local ready
Direct docking supported
|
|
E3L065008
BDB065008
|
BDBM50645124
COc1ccc(/C=C2\CC3(CC4C2=NN(C(N)=S)C4c2ccc(OC)cc2)OCCO3)cc1
|
C25H27N3O4S 465.575000 |
CZTPEUMKWWRRKM-QGOAFFKASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645124; PubChem:CID177377070
|
Local ready
Direct docking supported
|
|
E3L065009
BDB065009
|
BDBM50645125
COc1ccc(/C=C2\CC3(CC4C2OC(=O)C(C(C)=O)C4c2ccc(OC)cc2)OCCO3)cc1
|
C28H30O7 478.541000 |
CFJIQPJMDXSAQC-XSFVSMFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645125; PubChem:CID177377071
|
Local ready
Direct docking supported
|
|
E3L065010
BDB065010
|
BDBM50645126
O=C1N[C@H](C2CC2)[C@@H](C(=O)N2CCC(N3CCCCC3)CC2)c2ccc(F)cc21
|
C23H30FN3O2 399.510000 |
DQYMWLNPJQWTSD-LEWJYISDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645126; PubChem:CID177377072
|
Local ready
Direct docking supported
|
|
E3L065011
BDB065011
|
BDBM50645127
Cc1c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)nnn1-c1ccc(Br)cc1
|
C18H13BrN4O3 413.231000 |
MRWVQSBHOYUUQD-BJMVGYQFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645127; PubChem:CID171368953
|
Local ready
Direct docking supported
|
|
E3L065012
BDB065012
|
BDBM50645130
NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)NC4CCN(C(=O)c5ccc(Cl)o5)C4)cc3)nc12
|
C24H20ClN5O4 477.908000 |
JRYVUCRARWGKRR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645130; PubChem:CID177377073
|
Local ready
Direct docking supported
|
|
E3L065013
BDB065013
|
BDBM50645131
Cc1ccoc1C(=O)N1CCN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C(C)C1
|
C26H25N5O4 471.517000 |
ZQMGSEVLUHJWLL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645131; PubChem:CID177377074
|
Local ready
Direct docking supported
|
|
E3L065014
BDB065014
|
BDBM50645132
NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccc(Cl)o5)CC4)cc3)nc12
|
C24H20ClN5O4 477.908000 |
JIGGFVDRRQGMOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645132; PubChem:CID164900110
|
Local ready
Direct docking supported
|
|
E3L065015
BDB065015
|
BDBM50645133
NC(=O)c1cccc2[nH]c(C3CCN(C4CCC(F)(F)CC4)CC3)nc12
|
C19H24F2N4O 362.424000 |
YCMALEKADPQGHA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50645133; PubChem:CID141732896
|
Local ready
Direct docking supported
|
|
E3L065016
BDB065016
|
DYRK1A inhibitor ZJCK-6-46
Cc1ccc2c(-c3ccc4ncnc(N[C@H](CO)c5ccccc5)c4c3)c[nH]c2n1
|
C24H21N5O 395.466000 |
MNVPCONHWCXDES-JOCHJYFZSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50645374; PubChem:CID172966214
|
Local ready
Direct docking supported
|
|
E3L065017
BDB065017
|
BDBM50645443
COc1cc(N2CCN(C(=O)CCOCCOCCOCCNC(=O)[C@@H]3CCCN3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
|
C37H52ClN8O7P 787.299000 |
OHPXNAROFOWIMP-HKBQPEDESA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB
BindingDB:BDBM50645443
|
Local ready
Direct docking supported
|
|
E3L065018
BDB065018
|
BDBM50645466
CCOC(=O)CC/C(C)=C/CCC1(C)CCc2cc(OCc3ccccc3)ccc2O1
|
C27H34O4 422.565000 |
ODAFZLAWFTYICK-ZVBGSRNCSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50645466; PubChem:CID163322382
|
Local ready
Direct docking supported
|
|
E3L065019
BDB065019
|
PPAR agonist 5
CCOC(=O)CC/C(C)=C/CCc1ccc2cc(OCc3ccccc3)ccc2n1
|
C26H29NO3 403.522000 |
BEMHPTOKIWQUEM-DNTJNYDQSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50645467; PubChem:CID171713891
|
Local ready
Direct docking supported
|
|
E3L065020
BDB065020
|
BDBM50645684
N#Cc1ncc(C(=O)NCc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cn1
|
C24H25N5O2 415.497000 |
JRAIQKBXYKJLKW-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50645684; PubChem:CID177377445
|
Local ready
Direct docking supported
|