| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047961
BDB047961
|
BDBM50191420
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCN1CCNCC1
|
C22H22BrN5O2 468.355000 |
GKPYOIONIPTTMQ-NHFJDJAPSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50191420; PubChem:CID135423823
|
Local ready
Direct docking supported
|
|
E3L047962
BDB047962
|
Indirubin-3-methoxime
CO/N=C1\C(c2c(O)[nH]c3ccccc23)=Nc2ccccc21
|
C17H13N3O2 291.310000 |
DLJNVUXERDSYFS-HKWRFOASSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50191421; PubChem:CID136043836
|
Local ready
Direct docking supported
|
|
E3L047963
BDB047963
|
BDBM50191422
CN(C)CCO/N=C1/C(c2c(O)n(C)c3c(Br)cccc23)=Nc2ccccc21
|
C21H21BrN4O2 441.329000 |
HITUNSGAOLHVND-HKOYGPOVSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50191422; PubChem:CID135423842
|
Local ready
Direct docking supported
|
|
E3L047964
BDB047964
|
Me-7BIO
Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c21
|
C17H12BrN3O2 370.206000 |
RQGLDKGZSNDMAT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50191425; PubChem:CID135423796
|
Local ready
Direct docking supported
|
|
E3L047965
BDB047965
|
BDBM50191436
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCN1CCNCC1
|
C22H22BrN5O2 468.355000 |
GKPYOIONIPTTMQ-NHFJDJAPSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50191436; PubChem:CID135423823
|
Local ready
Direct docking supported
|
|
E3L047966
BDB047966
|
7-Bromoindirubin
O=C1C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21
|
C16H9BrN2O2 341.164000 |
HQEUNYHHPDEVEG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50191440; PubChem:CID135423783
|
Local ready
Direct docking supported
|
|
E3L047967
BDB047967
|
(2''Z)-7-bromo-1-methylindirubin
Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(Br)c21
|
C17H11BrN2O2 355.191000 |
JIMBVEMVHPOOIA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50191442; PubChem:CID135423788
|
Local ready
Direct docking supported
|
|
E3L047968
BDB047968
|
7-Chloroindirubin
O=C1C(c2c(O)[nH]c3c(Cl)cccc23)=Nc2ccccc21
|
C16H9ClN2O2 296.713000 |
NWTPNTSXENAZQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50191445; PubChem:CID135423851
|
Local ready
Direct docking supported
|
|
E3L047969
BDB047969
|
7-fluoro-3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one
O=Nc1c(-c2c(O)[nH]c3c(F)cccc23)[nH]c2ccccc12
|
C16H10FN3O2 295.273000 |
CURXWONZHCZVOV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50191448; PubChem:CID135423790
|
Local ready
Direct docking supported
|
|
E3L047970
BDB047970
|
(2''Z)-7-iodoindirubin
O=C1C(c2c(O)[nH]c3c(I)cccc23)=Nc2ccccc21
|
C16H9IN2O2 388.164000 |
OUWDTFBGCYJAMD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50191449; PubChem:CID135423784
|
Local ready
Direct docking supported
|
|
E3L047971
BDB047971
|
BDBM50191604
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1
|
C19H18O3 294.350000 |
XSRXKQDWXQCVGE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50191604; PubChem:CID11845112
|
Local ready
Direct docking supported
|
|
E3L047972
BDB047972
|
Ethyl 6-methoxy-1-oxo-3-phenyl-1H-indene-2-carboxylate
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1=O
|
C19H16O4 308.333000 |
DBMSEVNERSOURI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50191605; PubChem:CID23249734
|
Local ready
Direct docking supported
|
|
E3L047973
BDB047973
|
BDBM50191606
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1N=O
|
C19H17NO4 323.348000 |
KZPPYGGDADUBNS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50191606; PubChem:CID90954714
|
Local ready
Direct docking supported
|
|
E3L047974
BDB047974
|
BDBM50191607
CCOC(=O)C1=C(C23CC4CC(CC(C4)C2)C3)c2ccc(OC)cc2C1=O
|
C23H26O4 366.457000 |
OEYXOKUIRFJMDG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50191607; PubChem:CID11845117
|
Local ready
Direct docking supported
|
|
E3L047975
BDB047975
|
BDBM50191608
CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCc3ccccc3)cc2C1=O
|
C26H22O4 398.458000 |
JXLRDAJVMMBPAI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50191608; PubChem:CID11845281
|
Local ready
Direct docking supported
|
|
E3L047976
BDB047976
|
BDBM50191609
CCOC(=O)C1=C(c2ccoc2)c2ccc(OC)cc2C1=O
|
C17H14O5 298.294000 |
MDZBYXRVSJNKGL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50191609; PubChem:CID11845116
|
Local ready
Direct docking supported
|
|
E3L047977
BDB047977
|
BDBM50191610
CCOC(=O)C1=C(c2ccccc2)c2ccc(OCc3ccccc3)cc2C1=O
|
C25H20O4 384.431000 |
YMMDDMVGFSDVEV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50191610; PubChem:CID11845280
|
Local ready
Direct docking supported
|
|
E3L047978
BDB047978
|
BDBM50191611
CCOC(=O)CC1=C(c2ccccc2)c2ccc(OC)cc2C1=O
|
C20H18O4 322.360000 |
PNKYVTUJAHEYNV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50191611; PubChem:CID11845277
|
Local ready
Direct docking supported
|
|
E3L047979
BDB047979
|
BDBM50191612
CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCCc3ccccc3)cc2C1=O
|
C27H24O4 412.485000 |
GRNJWSWEMSYMHQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50191612; PubChem:CID11845282
|
Local ready
Direct docking supported
|
|
E3L047980
BDB047980
|
BDBM50192071
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(cccc3[nH]c1=O)O2
|
C22H21N5O3 403.442000 |
KBLPHMRCKHFBJB-OLZOCXBDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50192071; PubChem:CID16046126
|
Local ready
Direct docking supported
|