| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052621
BDB052621
|
BDBM50324042
CCCc1nc2cc(Br)c(Br)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C24H20Br2N2O2 528.244000 |
SKIFXVZAZPTMPN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50324042; PubChem:CID49864013
|
Local ready
Direct docking supported
|
|
E3L052622
BDB052622
|
BDBM50324043
CCCc1nc2cc(C(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C31H26N2O3 474.560000 |
DEFGFQYESAFJPD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50324043; PubChem:CID49864014
|
Local ready
Direct docking supported
|
|
E3L052623
BDB052623
|
BDBM50324044
CCCc1nc2ccc(C(=O)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C31H26N2O3 474.560000 |
FUJPZIGVXDTRPM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50324044; PubChem:CID49864015
|
Local ready
Direct docking supported
|
|
E3L052624
BDB052624
|
BDBM50324045
CCCc1nc2cc(C(O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C31H28N2O3 476.576000 |
HVWYKEFPHHQLMD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50324045; PubChem:CID49864025
|
Local ready
Direct docking supported
|
|
E3L052625
BDB052625
|
BDBM50324046
CCCc1nc2ccc(C(O)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C31H28N2O3 476.576000 |
ANDAFOUUTSEKKD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50324046; PubChem:CID49864026
|
Local ready
Direct docking supported
|
|
E3L052626
BDB052626
|
BDBM50324047
CCCc1nc2cc3ccccc3cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C28H24N2O2 420.512000 |
FBEQJIXUAGEQMA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50324047; PubChem:CID15069396
|
Local ready
Direct docking supported
|
|
E3L052627
BDB052627
|
Pf-03882845
N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1Cl
|
C24H22ClN3O2 419.912000 |
XNULRSOGWPFPBL-REWPJTCUSA-N | O96028, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50324210; PubChem:CID46871935
|
Local ready
Direct docking supported
|
|
E3L052628
BDB052628
|
BDBM50324250
CC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1CCC(=O)O
|
C19H17FN2O4 356.353000 |
DPEBDBCXOSMPLP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324250; PubChem:CID68792639
|
Local ready
Direct docking supported
|
|
E3L052629
BDB052629
|
BDBM50324251
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(Br)cc32)[nH]c2c1C(=O)CCC2
|
C20H17BrN2O4 429.270000 |
OJQKWSXMDZDKJR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324251; PubChem:CID68789968
|
Local ready
Direct docking supported
|
|
E3L052630
BDB052630
|
BDBM50324252
O=C(O)CCc1c(C=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH]c2c1C(=O)CCC2
|
C20H17N3O6 395.371000 |
MDSCADZDKKHEHY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324252; PubChem:CID68823596
|
Local ready
Direct docking supported
|
|
E3L052631
BDB052631
|
BDBM50324253
COc1cc(-c2ccc3c(c2)C(=Cc2[nH]c4c(c2CCC(=O)O)C(=O)CCC4)C(=O)N3)ccc1O
|
C27H24N2O6 472.497000 |
QOONWIGZQPQCBL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324253; PubChem:CID68794003
|
Local ready
Direct docking supported
|
|
E3L052632
BDB052632
|
BDBM50324254
COc1ccc(-c2ccc3c(c2)C(=Cc2[nH]c4c(c2CCC(=O)O)C(=O)CCC4)C(=O)N3)cc1OC
|
C28H26N2O6 486.524000 |
VNTHEFOEKZRFJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324254; PubChem:CID68794308
|
Local ready
Direct docking supported
|
|
E3L052633
BDB052633
|
BDBM50324255
CC(=O)Nc1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)O)C(=O)CCC3)C(=O)N2
|
C22H21N3O5 407.426000 |
KKZPMAGWUAPJHO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324255; PubChem:CID68791819
|
Local ready
Direct docking supported
|
|
E3L052634
BDB052634
|
BDBM50324256
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(NC(=O)c4ccccc4)cc32)[nH]c2c1C(=O)CCC2
|
C27H23N3O5 469.497000 |
IXFFKZZYPDDTIP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324256; PubChem:CID75253128
|
Local ready
Direct docking supported
|
|
E3L052635
BDB052635
|
BDBM50324257
CCS(=O)(=O)c1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)O)C(=O)CCC3)C(=O)N2
|
C22H22N2O6S 442.493000 |
FVSPJSBCNGWVQQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324257; PubChem:CID68789498
|
Local ready
Direct docking supported
|
|
E3L052636
BDB052636
|
BDBM50324258
C=CCS(=O)(=O)c1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)O)C(=O)CCC3)C(=O)N2
|
C23H22N2O6S 454.504000 |
HBFKOLIOMUUFGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324258
|
Local ready
Direct docking supported
|
|
E3L052637
BDB052637
|
BDBM50324259
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4ccccc4)cc32)[nH]c2c1C(=O)CCC2
|
C27H24N2O6S 504.564000 |
XCPBBUIVQPJLRR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324259; PubChem:CID68789676
|
Local ready
Direct docking supported
|
|
E3L052638
BDB052638
|
BDBM50324260
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4ccc(F)cc4)cc32)[nH]c2c1C(=O)CCC2
|
C27H23FN2O6S 522.554000 |
FXODUVDBZVMYDK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324260; PubChem:CID68794446
|
Local ready
Direct docking supported
|
|
E3L052639
BDB052639
|
BDBM50324261
NS(=O)(=O)c1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)O)C(=O)CCC3)C(=O)N2
|
C20H19N3O6S 429.454000 |
DNVVPLUBJALZTC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324261; PubChem:CID68794468
|
Local ready
Direct docking supported
|
|
E3L052640
BDB052640
|
BDBM50324262
CNS(=O)(=O)c1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)O)C(=O)CCC3)C(=O)N2
|
C21H21N3O6S 443.481000 |
JOBVMHHFKRAVRI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324262; PubChem:CID68789962
|
Local ready
Direct docking supported
|