| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058641
BDB058641
|
BDBM50514839
CCCCCCC(Sc1nc2ccc(NCc3cc(Cl)cc(Cl)c3)cc2s1)C(=O)O
|
C22H24Cl2N2O2S2 483.486000 |
NULRHNFUZMPYBN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50514839; PubChem:CID155552428
|
Local ready
Direct docking supported
|
|
E3L058642
BDB058642
|
BDBM50514840
CCCCCC[C@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(=O)O
|
C21H22Cl2N2O4S3 533.524000 |
GTNKAJJMCCFDIU-KRWDZBQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50514840; PubChem:CID155535253
|
Local ready
Direct docking supported
|
|
E3L058643
BDB058643
|
BDBM50514841
CCCCCCC(Sc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1)C(=O)O
|
C26H32N2O3S2 484.687000 |
WXLBCSJFFSKTIG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514841; PubChem:CID155518522
|
Local ready
Direct docking supported
|
|
E3L058644
BDB058644
|
BDBM50514899
CN(C)CCCOc1ccc(-c2cc(NCCCn3cccn3)nc(S(C)(=O)=O)n2)cc1
|
C22H30N6O3S 458.588000 |
MSIJJXOWLFOYIN-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50514899; PubChem:CID137796292
|
Local ready
Direct docking supported
|
|
E3L058645
BDB058645
|
BDBM50514922
O=C(Nc1cc2cnc(N3CCOCC3)nc2cc1N1CCCCC1)c1cnn2cccnc12
|
C24H26N8O2 458.526000 |
ASSXFIFEAODMQG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514922; PubChem:CID155552851
|
Local ready
Direct docking supported
|
|
E3L058646
BDB058646
|
BDBM50514923
CN(C)c1ccc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCCC3)cc2n1
|
C23H25N7O 415.501000 |
AHYTYKPDDJPJKK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514923; PubChem:CID155555362
|
Local ready
Direct docking supported
|
|
E3L058647
BDB058647
|
BDBM50514924
O=C(Nc1cc2sc(N3CCOCC3)nc2cc1N1CCOCC1)c1cnn2cccnc12
|
C22H23N7O3S 465.539000 |
FEJCKYYKSNIWCL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514924; PubChem:CID155560232
|
Local ready
Direct docking supported
|
|
E3L058648
BDB058648
|
BDBM50514925
O=C(Nc1cc2ccc(N3CCOCC3)nc2cc1N1CCCCC1)c1cnn2cccnc12
|
C25H27N7O2 457.538000 |
VPYLKSOSDMIVFP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514925; PubChem:CID155527737
|
Local ready
Direct docking supported
|
|
E3L058649
BDB058649
|
BDBM50514926
O=C(Nc1cc2[nH]cnc2cc1N1CCC(CO)CC1)c1cnn2cccnc12
|
C20H21N7O2 391.435000 |
ZJRJENCIESBXJL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514926; PubChem:CID155556454
|
Local ready
Direct docking supported
|
|
E3L058650
BDB058650
|
BDBM50514927
O=C(Nc1cc2[nH]c(N3CCOCC3)nc2cc1N1CCC(CO)CC1)c1cnn2cccnc12
|
C24H28N8O3 476.541000 |
ITGGDAFWYPNQHZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514927; PubChem:CID155527255
|
Local ready
Direct docking supported
|
|
E3L058651
BDB058651
|
BDBM50514928
CCn1c(N2CCOCC2)nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc21
|
C26H32N8O3 504.595000 |
PMTMCJMJTZAGJH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514928; PubChem:CID155511560
|
Local ready
Direct docking supported
|
|
E3L058652
BDB058652
|
BDBM50514929
O=C(Nc1cc2sc(N3CCOCC3)nc2cc1N1CCC(CO)CC1)c1cnn2cccnc12
|
C24H27N7O3S 493.593000 |
OSATXCGVOWUMIG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514929; PubChem:CID155537218
|
Local ready
Direct docking supported
|
|
E3L058653
BDB058653
|
BDBM50514930
CN(C)c1nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc2s1
|
C22H25N7O2S 451.556000 |
FXKMVTAKVQDJJT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514930; PubChem:CID155530835
|
Local ready
Direct docking supported
|
|
E3L058654
BDB058654
|
BDBM50514940
O=C(Nc1cc2cccnc2cc1N1CCC(CO)CC1)c1cnn2cccnc12
|
C22H22N6O2 402.458000 |
PSBLEKZDHVNIQM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514940; PubChem:CID58056108
|
Local ready
Direct docking supported
|
|
E3L058655
BDB058655
|
BDBM50514941
O=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCC(CO)CC1)c1cnn2cccnc12
|
C24H27N7O4 477.525000 |
PFCFMZHQWUDEEB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514941; PubChem:CID155539650
|
Local ready
Direct docking supported
|
|
E3L058656
BDB058656
|
BDBM50514942
Cn1c(N2CCOCC2)nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc21
|
C25H30N8O3 490.568000 |
LVDMRCKBQDTUEU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50514942; PubChem:CID138376590
|
Local ready
Direct docking supported
|
|
E3L058657
BDB058657
|
BDBM50515198
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1
|
C17H22F2N8O2 408.413000 |
BSJSHEXWIGDLOO-JTQLQIEISA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50515198; PubChem:CID121334504
|
Local ready
Direct docking supported
|
|
E3L058658
BDB058658
|
BDBM50515201
C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2)n1
|
C18H23F2N7O2 407.425000 |
SYKBZXMKAPICSO-NSHDSACASA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50515201; PubChem:CID121334433
|
Local ready
Direct docking supported
|
|
E3L058659
BDB058659
|
BDBM50515343
CCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1
|
C25H21N3O6 459.458000 |
YSORYXNWPJKELY-UYRXBGFRSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50515343; PubChem:CID155539809
|
Local ready
Direct docking supported
|
|
E3L058660
BDB058660
|
BDBM50515344
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])[nH]1
|
C24H20N4O5 444.447000 |
NRJQSTDTLZMQFA-UNOMPAQXSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50515344; PubChem:CID155532177
|
Local ready
Direct docking supported
|