| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052221
BDB052221
|
BDBM50315311
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1
|
C31H32N4O8S 620.684000 |
ICDLMVIOEWJHKJ-NDEPHWFRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50315311; PubChem:CID11635845
|
Local ready
Direct docking supported
|
|
E3L052222
BDB052222
|
BDBM50315312
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1
|
C31H32FN3O6S 593.677000 |
FDVKBDSFZLFDDE-NDEPHWFRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50315312; PubChem:CID11599646
|
Local ready
Direct docking supported
|
|
E3L052223
BDB052223
|
BDBM50315313
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
|
C31H32FN3O6S 593.677000 |
NFIYYSBUCHTFNZ-LJAQVGFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50315313; PubChem:CID11628577
|
Local ready
Direct docking supported
|
|
E3L052224
BDB052224
|
Chaetocin
CN1C(=O)[C@@]23C[C@]4([C@]56C[C@@]78SS[C@@](CO)(C(=O)N7[C@H]5Nc5ccccc56)N(C)C8=O)c5ccccc5N[C@@H]4N2C(=O)[C@]1(CO)SS3
|
C30H28N6O6S4 696.858000 |
PZPPOCZWRGNKIR-PNVYSBBASA-N | O96028, Q09472, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Hypoxia-inducible factor 1-alpha, Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50315537; PubChem:CID11657687
|
Local ready
Direct docking supported
|
|
E3L052225
BDB052225
|
BDBM50315657
O=C(O)C(Sc1nc(Cl)cc(Nc2ccc3ccccc3c2)n1)c1cccc2ccccc12
|
C26H18ClN3O2S 471.969000 |
FHLFDNGKWOUAFE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315657; PubChem:CID46885478
|
Local ready
Direct docking supported
|
|
E3L052226
BDB052226
|
BDBM50315658
O=C(O)C(Sc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1)c1cccc2ccccc12
|
C25H20ClN3O2S 461.974000 |
VNPBXBNWSYMQTB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315658; PubChem:CID46885591
|
Local ready
Direct docking supported
|
|
E3L052227
BDB052227
|
BDBM50315659
Cc1ccc(Nc2cc(Cl)nc(SC(C(=O)O)c3cccc4ccccc34)n2)cc1C
|
C24H20ClN3O2S 449.963000 |
UEQNACZGOCKYJM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315659; PubChem:CID46866190
|
Local ready
Direct docking supported
|
|
E3L052228
BDB052228
|
BDBM50315660
CC(C)c1ccc(Nc2cc(Cl)nc(SC(C(=O)O)c3cccc4ccccc34)n2)cc1
|
C25H22ClN3O2S 463.990000 |
GSSLNYXQADSUHX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315660; PubChem:CID46885522
|
Local ready
Direct docking supported
|
|
E3L052229
BDB052229
|
BDBM50315661
O=C(O)C(Sc1nc(Cl)cc(Nc2cccc(Cl)c2)n1)c1cccc2ccccc12
|
C22H15Cl2N3O2S 456.354000 |
HVMQERGLUKDWRN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315661; PubChem:CID46885552
|
Local ready
Direct docking supported
|
|
E3L052230
BDB052230
|
BDBM50315662
O=C(O)C(Sc1nc(Cl)cc(Nc2ccc(Cl)cc2)n1)c1cccc2ccccc12
|
C22H15Cl2N3O2S 456.354000 |
ZURVSPQUXUYAKK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315662; PubChem:CID46885553
|
Local ready
Direct docking supported
|
|
E3L052231
BDB052231
|
BDBM50315663
O=C(O)C(Sc1nc(Cl)cc(Nc2ccc(F)cc2)n1)c1cccc2ccccc12
|
C22H15ClFN3O2S 439.899000 |
ZPKBXCOEEKMSQQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315663; PubChem:CID46885554
|
Local ready
Direct docking supported
|
|
E3L052232
BDB052232
|
BDBM50315664
CC(C)CCNc1cc(Cl)nc(SC(C(=O)O)c2cccc3ccccc23)n1
|
C21H22ClN3O2S 415.946000 |
COUZGLSEBNURHL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315664; PubChem:CID46885556
|
Local ready
Direct docking supported
|
|
E3L052233
BDB052233
|
BDBM50315665
O=C(O)C(Sc1nc(Cl)cc(NCCc2ccccc2)n1)c1cccc2ccccc12
|
C24H20ClN3O2S 449.963000 |
AUPGPPSJMBDRTO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315665; PubChem:CID46885589
|
Local ready
Direct docking supported
|
|
E3L052234
BDB052234
|
BDBM50315666
O=C(O)C(Sc1nc(Cl)cc(NCCCc2ccccc2)n1)c1cccc2ccccc12
|
C25H22ClN3O2S 463.990000 |
MTEBXMPXGZSGGW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315666; PubChem:CID46885590
|
Local ready
Direct docking supported
|
|
E3L052235
BDB052235
|
BDBM50315667
Cc1cccc(Nc2cc(Cl)nc(SC(C(=O)O)c3ccc(-c4ccccc4)c4ccccc34)n2)c1C
|
C30H24ClN3O2S 526.061000 |
HSUVSHFOIBHSHP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315667; PubChem:CID46866189
|
Local ready
Direct docking supported
|
|
E3L052236
BDB052236
|
Gsk-1070916
CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1
|
C30H33N7O 507.642000 |
QTBWCSQGBMPECM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315769; PubChem:CID46885626
|
Local ready
Direct docking supported
|
|
E3L052237
BDB052237
|
BDBM50315772
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1
|
C21H22N6O 374.448000 |
HQTDBFXCCUUCFU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315772; PubChem:CID46885675
|
Local ready
Direct docking supported
|
|
E3L052238
BDB052238
|
BDBM50315778
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3)nc12
|
C19H20N4O 320.396000 |
RJIYGYHNEKRSTG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315778; PubChem:CID16665470
|
Local ready
Direct docking supported
|
|
E3L052239
BDB052239
|
BDBM50315779
NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCN4)cc3F)nc12
|
C18H17FN4O 324.359000 |
AHIVQGOUBLVTCB-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315779; PubChem:CID16666333
|
Local ready
Direct docking supported
|
|
E3L052240
BDB052240
|
BDBM50315780
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12
|
C18H18N4O 306.369000 |
WBSPNPVOFBRUKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315780; PubChem:CID16665702
|
Local ready
Direct docking supported
|