| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052921
BDB052921
|
BDBM50332462
Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C21H18F3NO3SSe 500.400000 |
SGRNBEGQBHHKMY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50332462; PubChem:CID11620299
|
Local ready
Direct docking supported
|
|
E3L052922
BDB052922
|
BDBM50332463
Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(C)C(=O)O
|
C22H20F3NO3SSe 514.427000 |
XQPOUOKQVMUNPE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50332463; PubChem:CID53325836
|
Local ready
Direct docking supported
|
|
E3L052923
BDB052923
|
BDBM50332464
CCC(Oc1ccc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C)C(=O)O
|
C23H22F3NO3SSe 528.454000 |
YMULMPRRAPDSFG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50332464; PubChem:CID53317893
|
Local ready
Direct docking supported
|
|
E3L052924
BDB052924
|
BDBM50332465
Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(C)(C)C(=O)O
|
C23H22F3NO3SSe 528.454000 |
VBDRHIJGEFBGCV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50332465; PubChem:CID53317892
|
Local ready
Direct docking supported
|
|
E3L052925
BDB052925
|
BDBM50332466
Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O
|
C21H17F4NO3SSe 518.390000 |
DSEBHTXGMSLWQS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50332466; PubChem:CID50925503
|
Local ready
Direct docking supported
|
|
E3L052926
BDB052926
|
BDBM50332467
Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OC(C)C(=O)O
|
C22H19F4NO3SSe 532.417000 |
VRWHMIWJRSAMDS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50332467; PubChem:CID53319246
|
Local ready
Direct docking supported
|
|
E3L052927
BDB052927
|
BDBM50332468
CCC(Oc1ccc([Se]Cc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)cc1C)C(=O)O
|
C23H21F4NO3SSe 546.444000 |
KDAQMAUWPKYEQD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50332468; PubChem:CID53317593
|
Local ready
Direct docking supported
|
|
E3L052928
BDB052928
|
BDBM50332469
Cc1cc([Se]Cc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OC(C)(C)C(=O)O
|
C23H21F4NO3SSe 546.444000 |
LXEMIQTUYWFWFY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50332469; PubChem:CID50925504
|
Local ready
Direct docking supported
|
|
E3L052929
BDB052929
|
BDBM50333656
O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2cccc(Nc3nccs3)c2)CC1
|
C21H20Cl2N4OS 447.391000 |
RRDMXURVZWDTOU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333656; PubChem:CID53320716
|
Local ready
Direct docking supported
|
|
E3L052930
BDB052930
|
BDBM50333657
O=C(c1cccc(C(F)(F)F)c1F)N1CCN(Cc2cccc(Nc3ccn[nH]3)n2)CC1
|
C21H20F4N6O 448.424000 |
KSDLDVWCPWGNDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333657; PubChem:CID11705035
|
Local ready
Direct docking supported
|
|
E3L052931
BDB052931
|
BDBM50333658
Cc1ccc(-c2nnc(Nc3ccc(Oc4ncccc4-c4cn[nH]c4N)cc3)c3ccccc23)cc1
|
C29H23N7O 485.551000 |
IARKBTSLUXXRLP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333658; PubChem:CID24855973
|
Local ready
Direct docking supported
|
|
E3L052932
BDB052932
|
BDBM50333659
COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)c3c(-c4ccccc4)n[nH]c3n2)cc1OC
|
C29H26N4O3 478.552000 |
SNKDRTJXUQLEEB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333659; PubChem:CID22426194
|
Local ready
Direct docking supported
|
|
E3L052933
BDB052933
|
BDBM50333660
CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1
|
C22H21ClN4O3S 456.955000 |
VPFRYRHJOSKCJN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333660; PubChem:CID27460865
|
Local ready
Direct docking supported
|
|
E3L052934
BDB052934
|
BDBM50333661
COc1ccc2cc(C(=O)C3CCC(C(C)C(=O)NCCC4=CCCCC4)CC3)[nH]c2c1
|
C27H36N2O3 436.596000 |
APKFNJSACZKTLX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333661; PubChem:CID53325994
|
Local ready
Direct docking supported
|
|
E3L052935
BDB052935
|
BDBM50333662
COc1ccc(OCC(O)Cn2c(N=NCc3ccccc3O)nc3c2c(=O)[nH]c(=O)n3C)cc1
|
C23H24N6O6 480.481000 |
DZHLIMFRTWUEFR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333662; PubChem:CID91933714
|
Local ready
Direct docking supported
|
|
E3L052936
BDB052936
|
BDBM50333663
CCOc1ccc2nc(Nc3nc4ccccc4c(=O)[nH]3)nc(C)c2c1
|
C19H17N5O2 347.378000 |
LJULQZCTWLGECQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333663; PubChem:CID135414231
|
Local ready
Direct docking supported
|
|
E3L052937
BDB052937
|
BDBM50333664
Cc1ccc(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccccc2N)cc1
|
C23H23N3O3 389.455000 |
JSAOIYNBSQMJDT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333664; PubChem:CID53318071
|
Local ready
Direct docking supported
|
|
E3L052938
BDB052938
|
BDBM50333665
CCOc1ccc(NC(=O)Cn2c(Nc3ccc(OCC)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1
|
C24H26N6O5 478.509000 |
JCIOMDWHZWRRID-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333665; PubChem:CID1164022
|
Local ready
Direct docking supported
|
|
E3L052939
BDB052939
|
BDBM50333666
COc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccc(O)cc2)C(=O)Nc2ccc(C)cc2C)cc1
|
C32H31N3O5 537.616000 |
PRWDLQNWKPCVDV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333666; PubChem:CID3124004
|
Local ready
Direct docking supported
|
|
E3L052940
BDB052940
|
BDBM50333667
COc1ccc2sc(SCC(=O)Nc3ncc(Br)s3)nc2c1
|
C13H10BrN3O2S3 416.347000 |
TVLYUBGSMNMTKB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50333667; PubChem:CID53322007
|
Local ready
Direct docking supported
|