| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007881
BDB007881
|
BDBM186835
Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(-c2ccccc2)n1
|
C25H26N4OS 430.577000 |
SJVAITNWGSDKNM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM186835; PubChem:CID86290252
|
Local ready
Direct docking supported
|
|
E3L007882
BDB007882
|
BDBM186836
Cc1cc(CN)ccc1CNC(=O)c1cc(C)n(Cc2csc(-c3ccccc3)n2)c1C
|
C26H28N4OS 444.604000 |
LRLXLIQZQCBDLR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM186836; PubChem:CID86290253
|
Local ready
Direct docking supported
|
|
E3L007883
BDB007883
|
BDBM186917
NCc1ccc(CNC(=O)c2cn(Cc3csc(-c4ccccc4)n3)nc2C(F)(F)F)cc1
|
C23H20F3N5OS 471.508000 |
XKNWUHBAMSZYGY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM186917; PubChem:CID90280225
|
Local ready
Direct docking supported
|
|
E3L007884
BDB007884
|
BDBM186918
NCc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1
|
C25H24N4O 396.494000 |
WADOCDNXVIYFEL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM186918; PubChem:CID90280333
|
Local ready
Direct docking supported
|
|
E3L007885
BDB007885
|
BDBM187087
Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4c(C)cc(CN)cc4C)c3C)cc2)c1
|
C29H35N5O 469.633000 |
CRSNMWANUJQZPT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM187087; PubChem:CID86290436
|
Local ready
Direct docking supported
|
|
E3L007886
BDB007886
|
BDBM187105
Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(CN)c(F)c4C)c(C(F)(F)F)n3)cc2)c1
|
C26H26F4N6O 514.527000 |
PKZHZUNPMZRBCV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM187105; PubChem:CID86290530
|
Local ready
Direct docking supported
|
|
E3L007887
BDB007887
|
BDBM187110
Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(C)n3)ccc2n1
|
C26H29N5O 427.552000 |
NKFYMWBVMOGCMS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM187110; PubChem:CID86290565
|
Local ready
Direct docking supported
|
|
E3L007888
BDB007888
|
BDBM187111
Cc1ccc2cc(Cn3ncc(C(=O)NCc4c(C)cc(CN)cc4C)c3C)ccc2n1
|
C26H29N5O 427.552000 |
SVWVNWWLYZGNGT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM187111; PubChem:CID86290566
|
Local ready
Direct docking supported
|
|
E3L007889
BDB007889
|
BDBM187112
Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(C(F)(F)F)n3)ccc2n1
|
C26H26F3N5O 481.522000 |
ASPQAQDFTSKEAM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM187112; PubChem:CID86290567
|
Local ready
Direct docking supported
|
|
E3L007890
BDB007890
|
BDBM187113
Cc1ccc2cc(Cn3ncc(C(=O)NCc4c(C)cc(CN)cc4C)c3C(F)(F)F)ccc2n1
|
C26H26F3N5O 481.522000 |
VJTIBJURDVORHW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM187113; PubChem:CID90280088
|
Local ready
Direct docking supported
|
|
E3L007891
BDB007891
|
BDBM187120
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
|
C19H17F2N3O3S 405.426000 |
VRHHAMWTRSVIEX-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM187120; PubChem:CID73508010
|
Local ready
Direct docking supported
|
|
E3L007892
BDB007892
|
BDBM188516
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1
|
C27H32N4O3 460.578000 |
RQFUKBAHMUVXDA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM188516; PubChem:CID121237855
|
Local ready
Direct docking supported
|
|
E3L007893
BDB007893
|
PF-Cbp1
CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1
|
C29H36N4O3 488.632000 |
CGWBJJZOKGZCSJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM188517; PubChem:CID119081417
|
Local ready
Direct docking supported
|
|
E3L007894
BDB007894
|
Isox inact
COc1ccc(CCc2nc3c(C)c(-c4c(C)noc4C)c(C)cc3n2CCN2CCOCC2)cc1
|
C29H36N4O3 488.632000 |
FTOHXUPHICJSCR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM188518; PubChem:CID121237856
|
Local ready
Direct docking supported
|
|
E3L007895
BDB007895
|
Sgc-cbp30
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
|
C28H33ClN4O3 509.050000 |
GEPYBHCJBORHCE-SFHVURJKSA-N | O15164, Q09472, Q92793, Q92831 | Histone acetyltransferase p300, CREB-binding protein, Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM188519; PubChem:CID72201027
|
Local ready
Direct docking supported
|
|
E3L007896
BDB007896
|
BDBM188520
Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccc(OCCCN(C)C)cc1)n2CCN1CCOCC1
|
C31H41N5O3 531.701000 |
HCDQWCDANVEBQR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM188520; PubChem:CID121237857
|
Local ready
Direct docking supported
|
|
E3L007897
BDB007897
|
US9174974, Example 19
Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
|
C33H34FN5O5S 631.730000 |
ZVYUEFHDJYEETD-WWOZWPLTSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM189434; PubChem:CID72551247
|
Local ready
Direct docking supported
|
|
E3L007898
BDB007898
|
BDBM190453
CS(=O)(=O)Oc1ccc(C(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1
|
C26H25FO7S2 532.611000 |
ZYHJMQNGOHDSBC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190453; PubChem:CID25094682
|
Local ready
Direct docking supported
|
|
E3L007899
BDB007899
|
BDBM190454
CS(=O)(=O)Oc1ccc(CC(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1
|
C27H27FO7S2 546.638000 |
RKRXDGXSKQZDSI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190454; PubChem:CID25094683
|
Local ready
Direct docking supported
|
|
E3L007900
BDB007900
|
BDBM190455
O=C(Cc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1)OCc1ccc(C(F)(F)F)cc1
|
C27H24F4O4S 520.544000 |
MSGPZHGUXAIVLM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190455; PubChem:CID25094684
|
Local ready
Direct docking supported
|