| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054581
BDB054581
|
BDBM50382026
CNC(=O)Cn1cc(-c2cnc3c(Nc4cc(CN5CCCCC5)ns4)nc(C)cn23)cn1
|
C22H27N9OS 465.587000 |
CBIJGKQGIMKYFS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382026; PubChem:CID59503584
|
Local ready
Direct docking supported
|
|
E3L054582
BDB054582
|
BDBM50382027
Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C30H32F3N9OS 623.709000 |
KWNOUBVBEBGONG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50382027
|
Local ready
Direct docking supported
|
|
E3L054583
BDB054583
|
BDBM50382028
Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(N(C)C)c4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C31H38N10OS 598.781000 |
ZWGGSMUWSPJJIU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50382028
|
Local ready
Direct docking supported
|
|
E3L054584
BDB054584
|
BDBM50382029
COc1ccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(CN6CCCC(C)C6)ns5)nc(C)cn34)cn2)cc1
|
C30H35N9O2S 585.738000 |
XLGUSDXMFILEGW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382029; PubChem:CID44177955
|
Local ready
Direct docking supported
|
|
E3L054585
BDB054585
|
BDBM50382030
Cc1cn2c(-c3cnn(CC(=O)NCc4cccnc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C28H32N10OS 556.700000 |
PSRQKGSEEYKFMK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382030; PubChem:CID44177727
|
Local ready
Direct docking supported
|
|
E3L054586
BDB054586
|
BDBM50382031
Cc1cn2c(-c3cnn(CC(=O)NCc4ccncc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C28H32N10OS 556.700000 |
VJOYYECZKLYWBV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382031; PubChem:CID44177728
|
Local ready
Direct docking supported
|
|
E3L054587
BDB054587
|
BDBM50382032
Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C27H31N9O2S 545.673000 |
WTSZLPJRFYTKQX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382032; PubChem:CID59503615
|
Local ready
Direct docking supported
|
|
E3L054588
BDB054588
|
BDBM50382033
Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C27H30N10OS 542.673000 |
JISRCHCXKMPPJP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382033; PubChem:CID44178068
|
Local ready
Direct docking supported
|
|
E3L054589
BDB054589
|
BDBM50382034
Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4O)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C27H30N10O2S 558.672000 |
LSVRKVVHCSGSCC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382034; PubChem:CID59503488
|
Local ready
Direct docking supported
|
|
E3L054590
BDB054590
|
BDBM50382055
CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C23H26ClF3N2O6S 550.983000 |
SCGVVJKHPNMMJC-VQHVLOKHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50382055; PubChem:CID16036021
|
Local ready
Direct docking supported
|
|
E3L054591
BDB054591
|
BDBM50382056
CCCCCS(=O)(=O)NC(=O)CCc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl
|
C20H22ClF3N2O4S 478.920000 |
DVSHFWXFFQZMQX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382056; PubChem:CID70681370
|
Local ready
Direct docking supported
|
|
E3L054592
BDB054592
|
BDBM50382057
CCCCCS(=O)(=O)NC(=O)CCc1ccc(OC(C)C)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C23H28ClF3N2O5S 537.000000 |
BMNVEEDDNQYYJY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382057; PubChem:CID16036020
|
Local ready
Direct docking supported
|
|
E3L054593
BDB054593
|
BDBM50382058
CCCCCS(=O)(=O)NC(=O)CCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C23H28ClF3N2O6S 552.999000 |
PIUFZZFLAWXNQK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382058; PubChem:CID68553004
|
Local ready
Direct docking supported
|
|
E3L054594
BDB054594
|
BDBM50382059
CCCCCS(=O)(=O)NC(=O)CCc1ccc(OCC(=O)N(CC)CC)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C26H33ClF3N3O6S 608.079000 |
QJYLTDWYLMHVJL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382059; PubChem:CID68551242
|
Local ready
Direct docking supported
|
|
E3L054595
BDB054595
|
BDBM50382060
CCCCCS(=O)(=O)NC(=O)CCc1ccc(OCCN2CCCC2=O)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C26H31ClF3N3O6S 606.063000 |
VMUKGUNRCWERMX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382060; PubChem:CID68549563
|
Local ready
Direct docking supported
|
|
E3L054596
BDB054596
|
BDBM50382061
COCCCS(=O)(=O)NC(=O)CCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C22H26ClF3N2O7S 554.971000 |
VVYWWDYJVGLJJS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382061; PubChem:CID68552853
|
Local ready
Direct docking supported
|
|
E3L054597
BDB054597
|
BDBM50382062
COCCOc1ccc(CCC(=O)NS(=O)(=O)c2ccccc2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
|
C24H22ClF3N2O6S 558.962000 |
RXLZVJXUTRDUPX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382062; PubChem:CID68549581
|
Local ready
Direct docking supported
|
|
E3L054598
BDB054598
|
BDBM50382063
COCCOc1ccc(CCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
|
C24H21Cl2F3N2O6S 593.407000 |
NFBIZSDAEFXMOW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382063; PubChem:CID68553559
|
Local ready
Direct docking supported
|
|
E3L054599
BDB054599
|
BDBM50382064
CCCCCS(=O)(=O)NC(=O)C(C)Cc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C24H30ClF3N2O6S 567.026000 |
YEPKPEINPSQPGF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382064; PubChem:CID68552841
|
Local ready
Direct docking supported
|
|
E3L054600
BDB054600
|
BDBM50382065
CCCCCS(=O)(=O)NC(=O)C(C)(C)Cc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C25H32ClF3N2O6S 581.053000 |
BVZPRXOIMPLPSP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382065; PubChem:CID68546703
|
Local ready
Direct docking supported
|