| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032101
BDB032101
|
BDBM649649
CCn1c(CCC(F)(F)c2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)cn3)c2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O
|
C35H37F2N5O3S 645.776000 |
CZCLZYDBEIUSRG-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM649649; PubChem:CID76286456
|
Local ready
Direct docking supported
|
|
E3L032102
BDB032102
|
US20240041837, Example 24
CCn1c(CCCc2cccc(-c3ccc(OC)c(CC(=O)O)c3)n2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O
|
C32H38N4O4 542.680000 |
MWBFYJGOUDQSNM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM649650; PubChem:CID90247710
|
Local ready
Direct docking supported
|
|
E3L032103
BDB032103
|
US20240041837, Example 25
CCn1c(CCCc2cccc(-c3cccc(-c4nnn[nH]4)c3)c2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O
|
C31H35N7O 521.669000 |
OIGOYHJSBSRMNU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM649651; PubChem:CID76286750
|
Local ready
Direct docking supported
|
|
E3L032104
BDB032104
|
US20240041837, Example 26
CCOc1ccc(-c2nccc(CCCc3nn(Cc4ccc(C(C)(C)C)cc4)c(=O)n3CC)n2)cc1CC(=O)O
|
C32H39N5O4 557.695000 |
SPQYDSGPLQUBFF-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM649652; PubChem:CID76286599
|
Local ready
Direct docking supported
|
|
E3L032105
BDB032105
|
US20240041837, Example 27
CCOc1ccc(-c2cc(CCCc3nn(Cc4ccc(C(C)(C)C)cc4)c(=O)n3CC)ncn2)cc1CC(=O)O
|
C32H39N5O4 557.695000 |
FBLWYFBGSTWENK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM649653; PubChem:CID76286600
|
Local ready
Direct docking supported
|
|
E3L032106
BDB032106
|
US20240041837, Example 28
CCn1c(CCCc2cccc(-c3ccc(CC(=O)O)c(OC)c3)c2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O
|
C33H39N3O4 541.692000 |
XXPSWXBRZIDBGM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM649654; PubChem:CID76286601
|
Local ready
Direct docking supported
|
|
E3L032107
BDB032107
|
US20240041837, Example 29
CCOc1cc(-c2cccc(CCCc3nn(Cc4ccc(C(C)(C)C)cc4)c(=O)n3CC)c2)ccc1CC(=O)O
|
C34H41N3O4 555.719000 |
OFUNPTVMKDPITP-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM649656; PubChem:CID76286602
|
Local ready
Direct docking supported
|
|
E3L032108
BDB032108
|
US20240041837, Example 30
CCCOc1cc(-c2cccc(CCCc3nn(Cc4ccc(C(C)(C)C)cc4)c(=O)n3CC)c2)ccc1CC(=O)O
|
C35H43N3O4 569.746000 |
SPGIRWGJYKEELM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM649657; PubChem:CID90242384
|
Local ready
Direct docking supported
|
|
E3L032109
BDB032109
|
BDBM649890
C=CC(=O)N[C@@H]1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2F)C1
|
C25H25FN6O3 476.512000 |
SWZOHOJSOIZBNH-OEMAIJDKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649890; PubChem:CID170687572
|
Local ready
Direct docking supported
|
|
E3L032110
BDB032110
|
BDBM649891
C=CC(=O)N[C@@H]1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)C1
|
C24H25N7O3 459.510000 |
VRGSCGSSIBVIGT-OEMAIJDKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649891; PubChem:CID170687585
|
Local ready
Direct docking supported
|
|
E3L032111
BDB032111
|
BDBM649892
C=CC(=O)N[C@@H]1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2C)C1
|
C26H28N6O3 472.549000 |
SUOZHKKCHCDPJG-QRWMCTBCSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649892; PubChem:CID170687573
|
Local ready
Direct docking supported
|
|
E3L032112
BDB032112
|
BDBM649893
C=CC(=O)N[C@H]1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)C1
|
C24H25N7O3 459.510000 |
VRGSCGSSIBVIGT-LYKKTTPLSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649893; PubChem:CID170687592
|
Local ready
Direct docking supported
|
|
E3L032113
BDB032113
|
BDBM649894
C=CC(=O)N[C@@H]1CNCC(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)C1
|
C23H24N8O3 460.498000 |
PCPKQXLXMUJQJR-WMCAAGNKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649894; PubChem:CID171362400
|
Local ready
Direct docking supported
|
|
E3L032114
BDB032114
|
BDBM649895
C=CC(=O)N[C@@H]1CNCC(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2F)C1
|
C24H24FN7O3 477.500000 |
CSKMMEQNDWGFRE-WMCAAGNKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649895; PubChem:CID171362401
|
Local ready
Direct docking supported
|
|
E3L032115
BDB032115
|
BDBM649896
C=CC(=O)N[C@H]1CC(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)CN(C)C1
|
C24H26N8O3 474.525000 |
OAFYNPQNLQPRAH-LWKPJOBUSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649896; PubChem:CID171362402
|
Local ready
Direct docking supported
|
|
E3L032116
BDB032116
|
BDBM649897
C=CC(=O)NC12CC(C(=O)Nc3ccc(NC(=O)c4cccc(-c5ccn[nH]5)n4)cc3F)(C1)C2
|
C24H21FN6O3 460.469000 |
XSVIMQYGKJCXBJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649897; PubChem:CID170687563
|
Local ready
Direct docking supported
|
|
E3L032117
BDB032117
|
BDBM649898
C=CC(=O)N1CC2(CC(n3cc(-c4ccc(NC(=O)c5cccc(-c6cnoc6)n5)nc4)nn3)C2)C1
|
C25H22N8O3 482.504000 |
SOGKMQOAKYMHPT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649898; PubChem:CID170687569
|
Local ready
Direct docking supported
|
|
E3L032118
BDB032118
|
BDBM649899
C=CC(=O)N1CC2(CC(n3cc(-c4ccc(NC(=O)c5cccc(-c6ccn[nH]6)n5)nc4)nn3)C2)C1
|
C25H23N9O2 481.520000 |
NVVSLRYLJSILJU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649899; PubChem:CID170687584
|
Local ready
Direct docking supported
|
|
E3L032119
BDB032119
|
BDBM649900
C=CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)C1
|
C25H26N6O3 458.522000 |
ZOWPEOJZGGYVMH-QFBILLFUSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649900; PubChem:CID156867589
|
Local ready
Direct docking supported
|
|
E3L032120
BDB032120
|
BDBM649901
C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)C1
|
C23H23N7O3 445.483000 |
IAQIZJLJAOFQPG-HNNXBMFYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM649901; PubChem:CID156867596
|
Local ready
Direct docking supported
|