| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024041
BDB024041
|
BDBM538087
CC(C)CCN1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C24H29FN3O2P 441.487000 |
IIZRYPQINFURDB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538087; PubChem:CID71478954
|
Local ready
Direct docking supported
|
|
E3L024042
BDB024042
|
BDBM538088
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(CC(F)(F)F)CC3)c2)c2ccccc12
|
C21H20F4N3O2P 453.376000 |
LXPAEQXCSCAYJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538088; PubChem:CID71109615
|
Local ready
Direct docking supported
|
|
E3L024043
BDB024043
|
BDBM538089
CP1(=O)CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C21H21FN3O3P 413.389000 |
ZFXYFCAQJYKEKE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538089; PubChem:CID71078094
|
Local ready
Direct docking supported
|
|
E3L024044
BDB024044
|
BDBM538090
CCP1(=O)CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H23FN3O3P 427.416000 |
ZGNPQBZYKKGONQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538090; PubChem:CID71076630
|
Local ready
Direct docking supported
|
|
E3L024045
BDB024045
|
BDBM538091
CC(C)P1(=O)CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C23H25FN3O3P 441.443000 |
GYYUJGPNSBAXSG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538091; PubChem:CID71077994
|
Local ready
Direct docking supported
|
|
E3L024046
BDB024046
|
BDBM538092
CCOP1(=O)CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H23FN3O4P 443.415000 |
FEMVTGCOAIXYPF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538092; PubChem:CID71076549
|
Local ready
Direct docking supported
|
|
E3L024047
BDB024047
|
BDBM538093
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(Cc4ccccc4)CC3)c2)c2ccc(F)cc12
|
C26H24F2N3O2P 479.467000 |
RDXMKIOPAQRRKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538093; PubChem:CID71109794
|
Local ready
Direct docking supported
|
|
E3L024048
BDB024048
|
BDBM538094
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(C4CC4)CC3)c2)c2ccc(F)cc12
|
C22H22F2N3O2P 429.407000 |
NYSJHCBHBQAYFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538094; PubChem:CID71109398
|
Local ready
Direct docking supported
|
|
E3L024049
BDB024049
|
BDBM538095
O=c1[nH]nc(Cc2ccc(F)c(P3(=O)CCN(c4ncccn4)CC3)c2)c2ccc(F)cc12
|
C23H20F2N5O2P 467.416000 |
JRCLMJCHHUKZCZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538095; PubChem:CID71109324
|
Local ready
Direct docking supported
|
|
E3L024050
BDB024050
|
BDBM538097
O=c1[nH]nc(C(O)c2ccc(F)c(P3(=O)CCN(Cc4ccccc4)CC3)c2)c2ccccc12
|
C26H25FN3O3P 477.476000 |
QNPWIEDIGMOLNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538097; PubChem:CID71109462
|
Local ready
Direct docking supported
|
|
E3L024051
BDB024051
|
BDBM538098
O=c1[nH]nc(C(O)c2ccc(F)c(P3(=O)CCN(c4ncccn4)CC3)c2)c2ccccc12
|
C23H21FN5O3P 465.425000 |
FZJVXOBGMQGVHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM538098; PubChem:CID71109795
|
Local ready
Direct docking supported
|
|
E3L024052
BDB024052
|
FLT3/IRAK1/4 inhibitor NCGC2327
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
|
C20H21N7O 375.436000 |
ZMZGUJSLGMATGF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM538618; PubChem:CID134284282
|
Local ready
Direct docking supported
|
|
E3L024053
BDB024053
|
BDBM538619
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
|
C22H22N6O 386.459000 |
ZQKNIPQNEVNCDY-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM538619; PubChem:CID134284346
|
Local ready
Direct docking supported
|
|
E3L024054
BDB024054
|
BDBM538621
Cn1cc(-c2cn3c(-c4cccc(NC5CCNC5)n4)cnc3cc2CO)cn1
|
C21H23N7O 389.463000 |
HTJGFHHVVPNDMR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM538621; PubChem:CID153515746
|
Local ready
Direct docking supported
|
|
E3L024055
BDB024055
|
BDBM538658
Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1
|
C17H18ClN5 327.819000 |
SZFYZDIPRMLBDC-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM538658; PubChem:CID25169384
|
Local ready
Direct docking supported
|
|
E3L024056
BDB024056
|
US11261170, Example 2
Cc1cc(/C=C/C(=O)c2cc3ccccc3s2)cc(C)c1OC(C)(C)C(=O)O
|
C23H22O4S 394.492000 |
ZAJBALGZMIMWGY-MDZDMXLPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539863; PubChem:CID142599789
|
Local ready
Direct docking supported
|
|
E3L024057
BDB024057
|
US11261170, Example 3
Cc1cc(/C=C/C(=O)c2cnc3ccccc3c2)cc(C)c1OC(C)(C)C(=O)O
|
C24H23NO4 389.451000 |
XHFCMJZTTZYLNE-MDZDMXLPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539864; PubChem:CID142599792
|
Local ready
Direct docking supported
|
|
E3L024058
BDB024058
|
US11261170, Example 4
Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2Cl)cc(C)c1OC(C)(C)C(=O)O
|
C24H22ClNO4 423.896000 |
HYYIPRGXAWLUBW-MDZDMXLPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539907; PubChem:CID142599784
|
Local ready
Direct docking supported
|
|
E3L024059
BDB024059
|
US11261170, Example 5
COc1nc2ccccc2cc1C(=O)/C=C/c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
|
C25H25NO5 419.477000 |
WKIFJBLRQMGCTO-ZHACJKMWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539944; PubChem:CID142599780
|
Local ready
Direct docking supported
|
|
E3L024060
BDB024060
|
US11261170, Example 6
COCCOc1nc2ccccc2cc1C(=O)/C=C/c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
|
C27H29NO6 463.530000 |
HGLCKIINJRJKAF-ZHACJKMWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539945; PubChem:CID142599795
|
Local ready
Direct docking supported
|