| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047941
BDB047941
|
BDBM50190427
CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC1CCSS1
|
C21H28N2O4S3 468.666000 |
JQCIOOSRGXQZOP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190427; PubChem:CID91604309
|
Local ready
Direct docking supported
|
|
E3L047942
BDB047942
|
BDBM50190428
CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(S)CCS
|
C21H30N2O4S3 470.682000 |
CDJJEPOJHUSSDA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190428; PubChem:CID91270020
|
Local ready
Direct docking supported
|
|
E3L047943
BDB047943
|
BDBM50190430
CC(=O)SC(CCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)CCSC(=O)CCC(=O)O
|
C27H36N2O8S3 612.792000 |
ZGRFXKDJAHFNEY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190430; PubChem:CID91936164
|
Local ready
Direct docking supported
|
|
E3L047944
BDB047944
|
BDBM50190432
CN(CCCOc1ccc(CC(=O)O)cc1Cl)C(=O)CCCCC1CCSS1
|
C20H28ClNO4S2 446.034000 |
XPNAZTPQGGWZEY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190432; PubChem:CID11633700
|
Local ready
Direct docking supported
|
|
E3L047945
BDB047945
|
BDBM50190586
Cc1nc(-c2ccccc2)sc1S(=O)(=O)Nc1ccc(N2CC[C@@H](C(=O)O)C2)c2ccccc12
|
C25H23N3O4S2 493.610000 |
PZGAKCOMOVQSTD-GOSISDBHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50190586; PubChem:CID118952733
|
Local ready
Direct docking supported
|
|
E3L047946
BDB047946
|
BDBM50190587
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ncccc23)c1C
|
C24H27N3O4S 453.564000 |
KUJTXHRJRSLJKZ-GOSISDBHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50190587; PubChem:CID118952707
|
Local ready
Direct docking supported
|
|
E3L047947
BDB047947
|
BDBM50190588
COc1cc(C)ccc1S(=O)(=O)Nc1ccc(N2CC[C@@H](C(=O)O)C2)c2ccccc12
|
C23H24N2O5S 440.521000 |
FHDBXLLVSHCICZ-MRXNPFEDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50190588; PubChem:CID118952781
|
Local ready
Direct docking supported
|
|
E3L047948
BDB047948
|
BDBM50190589
Cc1c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)sc2ccc(Cl)cc12
|
C24H21ClN2O4S2 501.029000 |
PPNHEBZGMPVYOZ-OAHLLOKOSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50190589; PubChem:CID118952751
|
Local ready
Direct docking supported
|
|
E3L047949
BDB047949
|
BDBM50190617
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)c1C
|
C25H28N2O4S 452.576000 |
BVYWIQHJXAEJOD-LJQANCHMSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50190617; PubChem:CID118952731
|
Local ready
Direct docking supported
|
|
E3L047950
BDB047950
|
BDBM50190618
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCC(C(=O)O)C3)c3ccccc23)c1C
|
C25H28N2O4S 452.576000 |
BVYWIQHJXAEJOD-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50190618; PubChem:CID118952741
|
Local ready
Direct docking supported
|
|
E3L047951
BDB047951
|
BDBM50191328
O=C1c2ccccc2C(=O)C2OC(c3ccccc3)=NC12
|
C17H11NO3 277.279000 |
JMNKNUXYPDLLAL-UHFFFAOYSA-N | Q8TAF3 | WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM50191328; PubChem:CID134148913
|
Local ready
Direct docking supported
|
|
E3L047952
BDB047952
|
BDBM50191343
O=C1c2ccccc2C(=O)C2OC(c3ccc(F)cc3)=NC12
|
C17H10FNO3 295.269000 |
MPHSOOSWRQUSHA-UHFFFAOYSA-N | Q8TAF3 | WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM50191343; PubChem:CID134149840
|
Local ready
Direct docking supported
|
|
E3L047953
BDB047953
|
BDBM50191395
Cn1c(O)c(C2=Nc3ccccc3/C2=N\OCCN2CCCC2)c2cccc(Br)c21
|
C23H23BrN4O2 467.367000 |
LEBAXTFUELGCGQ-LHLOQNFPSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50191395; PubChem:CID135423836
|
Local ready
Direct docking supported
|
|
E3L047954
BDB047954
|
BDBM50191396
CN(C)CCO/N=C1/C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21
|
C20H19BrN4O2 427.302000 |
CYXGVPFAWCPIFH-HKOYGPOVSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50191396; PubChem:CID135423824
|
Local ready
Direct docking supported
|
|
E3L047955
BDB047955
|
(2''Z,3''E)-7-iodoindirubin-3''-oxime
O=Nc1c(-c2c(O)[nH]c3c(I)cccc23)[nH]c2ccccc12
|
C16H10IN3O2 403.179000 |
ANUAVLXUJWJMIJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50191398; PubChem:CID135423793
|
Local ready
Direct docking supported
|
|
E3L047956
BDB047956
|
BDBM50191401
Cn1c(O)c(C2=Nc3ccccc3/C2=N\OCCN2CCCC2)c2cccc(Br)c21
|
C23H23BrN4O2 467.367000 |
LEBAXTFUELGCGQ-LHLOQNFPSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50191401; PubChem:CID135423836
|
Local ready
Direct docking supported
|
|
E3L047957
BDB047957
|
7-bromo-3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one
O=Nc1c(-c2c(O)[nH]c3c(Br)cccc23)[nH]c2ccccc12
|
C16H10BrN3O2 356.179000 |
HYMACPDEJIEMST-UHFFFAOYSA-N | O14965, P35869, Q92630 | Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50191405; PubChem:CID135423792
|
Local ready
Direct docking supported
|
|
E3L047958
BDB047958
|
BDBM50191411
CN(C)CCO/N=C1/C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21
|
C20H19BrN4O2 427.302000 |
CYXGVPFAWCPIFH-HKOYGPOVSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50191411; PubChem:CID135423824
|
Local ready
Direct docking supported
|
|
E3L047959
BDB047959
|
BDBM50191415
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCC1
|
C22H21BrN4O2 453.340000 |
MNFBRXZPUKLZEN-LHLOQNFPSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50191415; PubChem:CID135423820
|
Local ready
Direct docking supported
|
|
E3L047960
BDB047960
|
7-chloro-3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one
O=Nc1c(-c2c(O)[nH]c3c(Cl)cccc23)[nH]c2ccccc12
|
C16H10ClN3O2 311.728000 |
DFPCCEYOLMXHFI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50191418; PubChem:CID135423791
|
Local ready
Direct docking supported
|