| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058761
BDB058761
|
BDBM50516042
COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2cccc(C(F)(F)F)c2)c1
|
C28H27F3N2O3 496.529000 |
MOQQEUVUJIAQSD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516042; PubChem:CID155566789
|
Local ready
Direct docking supported
|
|
E3L058762
BDB058762
|
BDBM50516043
Cc1c(C)n(Cc2cccc(C(F)(F)F)c2)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc12
|
C27H23F3N2O3 480.486000 |
IJRIQTBSVQQWEL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516043; PubChem:CID155568354
|
Local ready
Direct docking supported
|
|
E3L058763
BDB058763
|
BDBM50516344
COc1ccc(Oc2nc(Nc3ccc(-c4nnn[nH]4)cc3)ncc2Cl)cc1
|
C18H14ClN7O2 395.810000 |
SABABAUUBNVNGG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50516344; PubChem:CID155529111
|
Local ready
Direct docking supported
|
|
E3L058764
BDB058764
|
BDBM50516345
Cc1cnc(Nc2ccc(-c3nnn[nH]3)cc2)nc1OC(C)C
|
C15H17N7O 311.349000 |
IMTMUIGEYABQPF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50516345; PubChem:CID155540190
|
Local ready
Direct docking supported
|
|
E3L058765
BDB058765
|
BDBM50516346
Fc1ccc(Oc2nc(Nc3ccc(-c4nnn[nH]4)cc3)ncc2Cl)cc1
|
C17H11ClFN7O 383.774000 |
MECUOQXLGUGXEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50516346; PubChem:CID155538361
|
Local ready
Direct docking supported
|
|
E3L058766
BDB058766
|
BDBM50516349
Fc1ccccc1Oc1nc(Nc2ccc(-c3nnn[nH]3)cc2)ncc1Cl
|
C17H11ClFN7O 383.774000 |
RLMODLUUZVLTGD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50516349; PubChem:CID155516408
|
Local ready
Direct docking supported
|
|
E3L058767
BDB058767
|
BDBM50516721
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N[C@@H](COC(C)(C)C)C(=O)O)c3ccccc23)cc1
|
C26H30N2O8S 530.599000 |
PNKBJGAZSOTXMJ-QFIPXVFZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516721; PubChem:CID155568141
|
Local ready
Direct docking supported
|
|
E3L058768
BDB058768
|
BDBM50516722
CC[C@H](C)[C@H](Nc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12)C(=O)O
|
C23H26N2O5S 442.537000 |
OMSABDJJGBAOSO-NYHFZMIOSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516722; PubChem:CID155545851
|
Local ready
Direct docking supported
|
|
E3L058769
BDB058769
|
BDBM50516723
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N[C@@H](CCC(=O)O)C(=O)O)c3ccccc23)cc1
|
C24H24N2O9S 516.528000 |
RSZVDGOMTAKJNW-FQEVSTJZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516723; PubChem:CID155513191
|
Local ready
Direct docking supported
|
|
E3L058770
BDB058770
|
Keap1-Nrf2-IN-1
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N3CCC[C@H]3C(=O)O)c3ccccc23)cc1
|
C24H24N2O7S 484.530000 |
XIIZECUWKNXLCU-QFIPXVFZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516724; PubChem:CID138911332
|
Local ready
Direct docking supported
|
|
E3L058771
BDB058771
|
BDBM50516725
COc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@H]3C(=O)O)c3ccccc23)cc1
|
C22H22N2O5S 426.494000 |
IGBCLYVNLPKDFX-NRFANRHFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516725; PubChem:CID155528223
|
Local ready
Direct docking supported
|
|
E3L058772
BDB058772
|
BDBM50516726
Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2ccc(N3CCC[C@H]3C(=O)O)c3ccccc23)c(C)c1
|
C26H28N2O6S 496.585000 |
WEAFESVAWZFMBS-QHCPKHFHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516726; PubChem:CID155536779
|
Local ready
Direct docking supported
|
|
E3L058773
BDB058773
|
BDBM50516727
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N3CCC[C@@H]3C(=O)O)c3ccccc23)cc1
|
C24H24N2O7S 484.530000 |
XIIZECUWKNXLCU-JOCHJYFZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516727; PubChem:CID155541334
|
Local ready
Direct docking supported
|
|
E3L058774
BDB058774
|
BDBM50516728
COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c3ccccc23)cc1
|
C28H25N3O5S 515.591000 |
GZXYXCXYJCTIEP-MHZLTWQESA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516728; PubChem:CID155524700
|
Local ready
Direct docking supported
|
|
E3L058775
BDB058775
|
BDBM50516729
COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](Cc3ccc(O)cc3)C(=O)O)c3ccccc23)cc1
|
C26H24N2O6S 492.553000 |
OBJQDSKJODWDEL-VWLOTQADSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516729; PubChem:CID155531206
|
Local ready
Direct docking supported
|
|
E3L058776
BDB058776
|
BDBM50516730
COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](Cc3ccccc3)C(=O)O)c3ccccc23)cc1
|
C26H24N2O5S 476.554000 |
OTGJFRYHLAKPFZ-VWLOTQADSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516730; PubChem:CID155513129
|
Local ready
Direct docking supported
|
|
E3L058777
BDB058777
|
BDBM50516731
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N[C@@H](Cc3ccccc3)C(=O)O)c3ccccc23)cc1
|
C28H26N2O7S 534.590000 |
UPWCPDWGTNEAOO-VWLOTQADSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516731; PubChem:CID155514912
|
Local ready
Direct docking supported
|
|
E3L058778
BDB058778
|
BDBM50516732
COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](CC(=O)O)C(=O)O)c3ccccc23)cc1
|
C21H20N2O7S 444.465000 |
UUCQIPNGKZKTME-IBGZPJMESA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516732; PubChem:CID155513585
|
Local ready
Direct docking supported
|
|
E3L058779
BDB058779
|
BDBM50516733
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N[C@@H](CC(=O)O)C(=O)O)c3ccccc23)cc1
|
C23H22N2O9S 502.501000 |
NNLIAJAUBRESAW-IBGZPJMESA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516733; PubChem:CID155543066
|
Local ready
Direct docking supported
|
|
E3L058780
BDB058780
|
BDBM50516734
COc1ccc(S(=O)(=O)Nc2ccc(N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C)c3ccccc23)cc1
|
C25H30N2O6S 486.590000 |
UWONTANRISTLBQ-MWTRTKDXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50516734; PubChem:CID155539935
|
Local ready
Direct docking supported
|