| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057101
BDB057101
|
BDBM50461785
Cn1cc(-c2nn(Cc3ccc(C(=O)NC4CCCCC4)cc3)c(=O)c3ccccc23)cn1
|
C26H27N5O2 441.535000 |
DVROHIHHTSFVPB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50461785; PubChem:CID145969234
|
Local ready
Direct docking supported
|
|
E3L057102
BDB057102
|
BDBM50461786
CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1
|
C21H26N8OS 438.561000 |
MVQSZXIVEQECJQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50461786; PubChem:CID10094689
|
Local ready
Direct docking supported
|
|
E3L057103
BDB057103
|
BDBM50461787
Cn1cc(-c2nn(Cc3ccc(C(=O)NC4CCCC4)cc3)c(=O)c3ccccc23)cn1
|
C25H25N5O2 427.508000 |
YKVSMJHGYWIRDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50461787; PubChem:CID145970874
|
Local ready
Direct docking supported
|
|
E3L057104
BDB057104
|
BDBM50461788
Cn1cc(-c2nn(Cc3ccc(C(=O)NC4CC(C)(C)N(O)C(C)(C)C4)cc3)c(=O)c3ccccc23)cn1
|
C29H34N6O3 514.630000 |
DVLIQRGISIJWEA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50461788; PubChem:CID172033524
|
Local ready
Direct docking supported
|
|
E3L057105
BDB057105
|
BDBM50461789
Cn1cc(Nc2nn(Cc3ccc(C(=O)NC4CCCCC4)cc3)c(=O)c3ccccc23)cn1
|
C26H28N6O2 456.550000 |
XCNVQVQBCBXNAC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50461789; PubChem:CID145967944
|
Local ready
Direct docking supported
|
|
E3L057106
BDB057106
|
BDBM50461790
CN1CCC(NC(=O)c2ccc(Cn3nc(-c4cnn(C)c4)c4ccccc4c3=O)cc2)CC1
|
C26H28N6O2 456.550000 |
YECBARDDCVULIS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50461790; PubChem:CID145967934
|
Local ready
Direct docking supported
|
|
E3L057107
BDB057107
|
BDBM50462129
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(C#CC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21
|
C57H77N9O7Si 1028.385000 |
SOUZAGJRYQSXAP-UZNJVIDBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50462129
|
Local ready
Direct docking supported
|
|
E3L057108
BDB057108
|
BDBM50462206
CC(=O)N[C@H]1CSc2c(F)c(F)c(c(F)c2F)SC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC1=O
|
C39H49F4N9O16S2 1039.994000 |
LOAYLPFVCBMKMU-IUQMFHFLSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50462206
|
Local ready
Direct docking supported
|
|
E3L057109
BDB057109
|
BDBM50462207
CC(=O)N[C@H]1CSc2c(F)c(F)c(c(F)c2F)SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O
|
C54H69F4N11O18S2 1300.331000 |
ZPQDUURKVXWYLY-CCOIYPFGSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50462207
|
Local ready
Direct docking supported
|
|
E3L057110
BDB057110
|
H-Cys(1)-Asp-Glu-Glu-Thr-Gly-Glu-Cys(1)-NH2
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O
|
C31H47N9O17S2 881.897000 |
YVNJUSMTPJJUGG-SQDYOIKASA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50462208; PubChem:CID145982583
|
Local ready
Direct docking supported
|
|
E3L057111
BDB057111
|
Ac-Cys(1)-Leu-Asp-Glu-Glu-Thr-Gly-Glu-Phe-Cys(1)-NH2
CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O
|
C48H69N11O20S2 1184.271000 |
NOIDEXSADBXQKS-ZBUIUSNRSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50462209; PubChem:CID145984561
|
Local ready
Direct docking supported
|
|
E3L057112
BDB057112
|
Ac-Cys(1)-Glu-Glu-Thr-Gly-Cys(1)-NH2
CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O
|
C24H37N7O12S2 679.731000 |
WTPLHKNIXTZVGF-VRIFGJDVSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50462210; PubChem:CID145986114
|
Local ready
Direct docking supported
|
|
E3L057113
BDB057113
|
Ac-Cys(1)-Asp-Glu-Glu-Thr-Gly-Glu-Cys(1)-NH2
CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O
|
C33H49N9O18S2 923.934000 |
XFPZHYCCGGCMPM-JFERZGRSSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50462211; PubChem:CID145985825
|
Local ready
Direct docking supported
|
|
E3L057114
BDB057114
|
Ac-Cys(1)-Asp-Glu-Glu-Thr-Gly-Glu-Cys(1)-OH
CC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O
|
C33H48N8O19S2 924.918000 |
KTEQAUXKLYRSOK-JFERZGRSSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50462212; PubChem:CID145986134
|
Local ready
Direct docking supported
|
|
E3L057115
BDB057115
|
BDBM50462437
COc1ccc(COc2ccc(CNc3cccc(C(=O)O)c3)c(OCc3ccc(OC)cc3)c2)cc1
|
C30H29NO6 499.563000 |
JGCSLARSZZNHJG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50462437; PubChem:CID139501078
|
Local ready
Direct docking supported
|
|
E3L057116
BDB057116
|
BDBM50462438
COc1ccc(COc2ccc(CNc3cccc(OC(C)(C)C(=O)O)c3)c(OCc3ccc(OC)cc3)c2)cc1
|
C33H35NO7 557.643000 |
GAYGPDMQHMBNJS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50462438; PubChem:CID139501208
|
Local ready
Direct docking supported
|
|
E3L057117
BDB057117
|
BDBM50462439
COc1ccc(COc2ccc(CNc3cccc(C(=O)O)c3)cc2)cc1
|
C22H21NO4 363.413000 |
OEODGXYWIGASDE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50462439; PubChem:CID139501186
|
Local ready
Direct docking supported
|
|
E3L057118
BDB057118
|
BDBM50462440
COc1ccc(COc2ccc(CNc3cccc(OC(C)(C)C(=O)O)c3)cc2)cc1
|
C25H27NO5 421.493000 |
QRSBSLXUFXAHEI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50462440; PubChem:CID139501076
|
Local ready
Direct docking supported
|
|
E3L057119
BDB057119
|
7-Chloro-8-methyl-2-phenylquinoline-4-carboxylic acid
Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccccc3)nc12
|
C17H12ClNO2 297.741000 |
ZVEMFXOLQBHHKA-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50462441; PubChem:CID237084
|
Local ready
Direct docking supported
|
|
E3L057120
BDB057120
|
BDBM50462567
OCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
|
C20H20ClNO2 341.838000 |
WHNXQKIPNNLBQD-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50462567; PubChem:CID1977101
|
Local ready
Direct docking supported
|