| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055661
BDB055661
|
8-Cyclohexyl-3h-dipyrrolo[1,2-a:2',3'-e]pyrazine
c1cc2c(ncc3ccc(C4CCCCC4)n32)[nH]1
|
C15H17N3 239.322000 |
BCJVFDDJSOEKKQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50426733; PubChem:CID49850211
|
Local ready
Direct docking supported
|
|
E3L055662
BDB055662
|
8-cyclohexyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine
c1cc2c(ncc3ncc(C4CCCCC4)n32)[nH]1
|
C14H16N4 240.310000 |
DRLXSJUOTKNTDH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50426734; PubChem:CID58010265
|
Local ready
Direct docking supported
|
|
E3L055663
BDB055663
|
BDBM50426735
c1cc2c(ncc3nnc(C4CCCCC4)n32)[nH]1
|
C13H15N5 241.298000 |
ZVJRUPARGURZPI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50426735; PubChem:CID136013449
|
Local ready
Direct docking supported
|
|
E3L055664
BDB055664
|
BDBM50426736
FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
|
C15H15F3N4 308.307000 |
DAEHEXHIXLMIJT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50426736
|
Local ready
Direct docking supported
|
|
E3L055665
BDB055665
|
BDBM50426737
c1cc2c(ncc3onc(C4CCCCC4)c32)[nH]1
|
C14H15N3O 241.294000 |
MNRAJFUSWSJXCI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50426737
|
Local ready
Direct docking supported
|
|
E3L055666
BDB055666
|
BDBM50426738
Cn1nc(C2CCCCC2)c2c3cc[nH]c3ncc21
|
C15H18N4 254.337000 |
ITJOPOBKLBQUJE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50426738
|
Local ready
Direct docking supported
|
|
E3L055667
BDB055667
|
BDBM50426739
c1cc2c(ncc3[nH]nc(C4CCCCC4)c32)[nH]1
|
C14H16N4 240.310000 |
NQKQBQVEFPTHFU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50426739
|
Local ready
Direct docking supported
|
|
E3L055668
BDB055668
|
BDBM50426740
c1cc2c3c(cnc2[nH]1)CCCN3C1CCCCC1
|
C16H21N3 255.365000 |
FIOJSASVXZIWJI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50426740; PubChem:CID58557147
|
Local ready
Direct docking supported
|
|
E3L055669
BDB055669
|
BDBM50426770
CCc1nc2ccn(CC(C)C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C28H29N7O 479.588000 |
BRVNNIGOENBZSY-DEOSSOPVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426770; PubChem:CID71521299
|
Local ready
Direct docking supported
|
|
E3L055670
BDB055670
|
BDBM50426771
CCc1nc2ccn(CC(=O)O)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C26H23N7O3 481.516000 |
CSGHOMXVYIMAHV-NRFANRHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426771; PubChem:CID71521298
|
Local ready
Direct docking supported
|
|
E3L055671
BDB055671
|
BDBM50426772
CCc1nc2ccn(CC(=O)OCc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C33H29N7O3 571.641000 |
KTJFAFPWSZEFRR-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426772; PubChem:CID71521196
|
Local ready
Direct docking supported
|
|
E3L055672
BDB055672
|
BDBM50426773
CCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C28H28N8O2 508.586000 |
HHBHBSKAIYFQLC-QHCPKHFHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426773; PubChem:CID71521195
|
Local ready
Direct docking supported
|
|
E3L055673
BDB055673
|
BDBM50426774
CCc1nc2ccn(Cc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C31H27N7O 513.605000 |
QAYQVTMHUMLSNG-MHZLTWQESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50426774; PubChem:CID46184983
|
Local ready
Direct docking supported
|
|
E3L055674
BDB055674
|
BDBM50426775
CCc1nc2cc[nH]c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C24H21N7O 423.480000 |
IHAFCRASQNQUNB-FQEVSTJZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426775; PubChem:CID71521194
|
Local ready
Direct docking supported
|
|
E3L055675
BDB055675
|
BDBM50426776
CCc1nc2c(C)cn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C33H28N8O 552.642000 |
RAUNYZMCEZPALE-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426776; PubChem:CID71520501
|
Local ready
Direct docking supported
|
|
E3L055676
BDB055676
|
BDBM50426777
CCc1nc2c(C)cn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C33H31N7O 541.659000 |
HMHFJSKWETWSSD-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426777; PubChem:CID71520500
|
Local ready
Direct docking supported
|
|
E3L055677
BDB055677
|
BDBM50426778
CCc1nc2ccn(Cc3c(C)noc3C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C30H28N8O2 532.608000 |
KVZLMWOIAUCUCF-SANMLTNESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426778; PubChem:CID71521585
|
Local ready
Direct docking supported
|
|
E3L055678
BDB055678
|
BDBM50426779
CCc1nc2ccn(Cc3ccncc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C30H26N8O 514.593000 |
NGGYCBZCFBEEKM-SANMLTNESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426779; PubChem:CID71521507
|
Local ready
Direct docking supported
|
|
E3L055679
BDB055679
|
BDBM50426780
CCc1nc2ccn(Cc3cccnc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C30H26N8O 514.593000 |
VAKAMIMEKPQCGO-SANMLTNESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426780; PubChem:CID71521506
|
Local ready
Direct docking supported
|
|
E3L055680
BDB055680
|
BDBM50426781
CCc1nc2ccn(Cc3ccccn3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
|
C30H26N8O 514.593000 |
XHLKCEYNQMCDRS-SANMLTNESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426781; PubChem:CID71521505
|
Local ready
Direct docking supported
|