| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048481
BDB048481
|
BDBM50206447
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]nc(-c4cccc(NC(=O)/C=C\C(=O)O)c4)c3c2)cc1
|
C27H26N4O5S 518.595000 |
PYEYDCUPUDQXIA-YPKPFQOOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206447; PubChem:CID134147630
|
Local ready
Direct docking supported
|
|
E3L048482
BDB048482
|
BDBM50206819
Cc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1
|
C19H21N7O 363.425000 |
BOWYXGHFMQMXPT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206819; PubChem:CID67098566
|
Local ready
Direct docking supported
|
|
E3L048483
BDB048483
|
BDBM50206857
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccn3)n2)n[nH]1
|
C18H19N7O 349.398000 |
PQYAPEIRQCOGCC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206857; PubChem:CID67098869
|
Local ready
Direct docking supported
|
|
E3L048484
BDB048484
|
BDBM50206858
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccncc3)n2)n[nH]1
|
C18H19N7O 349.398000 |
MKIOKPWDAUFCOF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206858; PubChem:CID67098421
|
Local ready
Direct docking supported
|
|
E3L048485
BDB048485
|
BDBM50206859
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1
|
C19H21N7O 363.425000 |
VQBZFHKHISYRMO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206859; PubChem:CID67097557
|
Local ready
Direct docking supported
|
|
E3L048486
BDB048486
|
BDBM50206860
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3Cl)n2)n[nH]1
|
C19H19ClN6O 382.855000 |
HELPFLHLGBGMOS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206860; PubChem:CID67098971
|
Local ready
Direct docking supported
|
|
E3L048487
BDB048487
|
BDBM50206861
CCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1
|
C20H23N7O 377.452000 |
NKWGBOOLJXYPQR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206861; PubChem:CID67098794
|
Local ready
Direct docking supported
|
|
E3L048488
BDB048488
|
BDBM50206862
Cc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)c(C)n1
|
C20H23N7O 377.452000 |
KMUQNRCFLITLEM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206862; PubChem:CID67098558
|
Local ready
Direct docking supported
|
|
E3L048489
BDB048489
|
BDBM50206863
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3)n2)n[nH]1
|
C19H20N6O 348.410000 |
KPIIAFIPCLHFJM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206863; PubChem:CID67098926
|
Local ready
Direct docking supported
|
|
E3L048490
BDB048490
|
BDBM50206864
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1
|
C19H19FN6O 366.400000 |
AWLBOIUGNGQJSU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206864; PubChem:CID67098846
|
Local ready
Direct docking supported
|
|
E3L048491
BDB048491
|
BDBM50206865
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1
|
C18H19N7O 349.398000 |
UAZXSLJQCXJPNG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206865; PubChem:CID11949628
|
Local ready
Direct docking supported
|
|
E3L048492
BDB048492
|
2-Thiohydantoin
O=C1CNC(=S)N1
|
C3H4N2OS 116.145000 |
UGWULZWUXSCWPX-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50207238; PubChem:CID1274030
|
Local ready
Direct docking supported
|
|
E3L048493
BDB048493
|
1-Benzyl-3-[(2-phenothiazin-10-ylacetyl)amino]thiourea
O=C(CN1c2ccccc2Sc2ccccc21)NNC(=S)NCc1ccccc1
|
C22H20N4OS2 420.563000 |
IXLCNZKPZUWIEO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50207272; PubChem:CID2813684
|
Local ready
Direct docking supported
|
|
E3L048494
BDB048494
|
BDBM50207273
O=S(=O)(Nc1cc(Cc2cc(NS(=O)(=O)c3ccccc3)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1)c1ccccc1
|
C27H20F6N2O4S2 614.589000 |
YCFBFERETPOGBP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50207273; PubChem:CID2805771
|
Local ready
Direct docking supported
|
|
E3L048495
BDB048495
|
BDBM50207274
COc1ccc(-c2cn3cccc(OCc4ccc(Cl)c(Cl)c4)c3n2)cc1
|
C21H16Cl2N2O2 399.277000 |
OLPJYYXXMAEHPI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50207274; PubChem:CID2813539
|
Local ready
Direct docking supported
|
|
E3L048496
BDB048496
|
BDBM50207275
CSc1nc(Sc2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]2)cc(Sc2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]2)n1
|
C25H12F12N8S3 748.604000 |
JKYWPZWZTJZXEG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50207275; PubChem:CID2746797
|
Local ready
Direct docking supported
|
|
E3L048497
BDB048497
|
BDBM50207276
O=S(=O)(c1ccc(Cl)cc1)c1cnn(S(=O)(=O)c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
|
C21H12Cl4N2O4S2 562.283000 |
UTTCMMIAFXUYJW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50207276; PubChem:CID2745807
|
Local ready
Direct docking supported
|
|
E3L048498
BDB048498
|
BDBM50207464
[O]C(=O)[C][C]c1ccc(O[C][C]=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
|
C24H12Br2O3 508.165000 |
FFXIIKBUZOASLU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50207464
|
Local ready
Direct docking supported
|
|
E3L048499
BDB048499
|
BDBM50207465
[C]c1cc(S[C][C]=C(c2ccc(Br)cc2)c2ccc(Br)cc2)ccc1O[C]C([O])=O
|
C24H11Br2O3S 539.224000 |
SEVWNSSMRYDXLU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50207465
|
Local ready
Direct docking supported
|
|
E3L048500
BDB048500
|
BDBM50207466
[O]C(=O)[C]c1ccc(O[C][C]=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
|
C23H12Br2O3 496.154000 |
GXRAFAXQVIZGPI-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50207466
|
Local ready
Direct docking supported
|