| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050301
BDB050301
|
BDBM50264420
O=C(NCCc1cccs1)c1cnc2c(SSc3cccc4cc(C(=O)NCCc5cccs5)cnc34)cccc2c1
|
C32H26N4O2S4 626.854000 |
ZXYPACVVZOCLGB-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264420; PubChem:CID126599625
|
Local ready
Direct docking supported
|
|
E3L050302
BDB050302
|
BDBM50264421
O=C(NCCc1ccco1)c1cnc2c(SSc3cccc4cc(C(=O)NCCc5ccco5)cnc34)cccc2c1
|
C32H26N4O4S2 594.718000 |
ZDHYTMBLBWAKCL-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264421; PubChem:CID126599621
|
Local ready
Direct docking supported
|
|
E3L050303
BDB050303
|
BDBM50264422
O=C(NCC1CCCO1)c1cnc2c(SSc3cccc4cc(C(=O)NCC5CCCO5)cnc34)cccc2c1
|
C30H30N4O4S2 574.728000 |
FXNCJJMCBRERPX-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264422; PubChem:CID126599629
|
Local ready
Direct docking supported
|
|
E3L050304
BDB050304
|
BDBM50264423
CNC(=O)c1cnc2c(SSc3cccc4cc(C(=O)NC)cnc34)cccc2c1
|
C22H18N4O2S2 434.546000 |
QNMAPJPZQPPOIL-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264423; PubChem:CID126599630
|
Local ready
Direct docking supported
|
|
E3L050305
BDB050305
|
BDBM50264424
NC(=O)c1cnc2c(SSc3cccc4cc(C(N)=O)cnc34)cccc2c1
|
C20H14N4O2S2 406.492000 |
PYKBGJHTBCZDGQ-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264424; PubChem:CID126599623
|
Local ready
Direct docking supported
|
|
E3L050306
BDB050306
|
BDBM50264425
O=C(NCc1ccccc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccccc5)cnc34)cccc2c1
|
C34H26N4O2S2 586.742000 |
PKASMGPCAKICHF-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264425; PubChem:CID90348686
|
Local ready
Direct docking supported
|
|
E3L050307
BDB050307
|
BDBM50264426
O=C(NCc1ccco1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccco5)cnc34)cccc2c1
|
C30H22N4O4S2 566.664000 |
SJIJNXSPIGAWMR-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264426; PubChem:CID126599624
|
Local ready
Direct docking supported
|
|
E3L050308
BDB050308
|
BDBM50264427
O=C(NCCc1nccs1)c1cnc2c(SSc3ccnc4cc(C(=O)NCCc5nccs5)cnc34)ccnc2c1
|
C28H22N8O2S4 630.806000 |
OFNQVOGOMOJAMR-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264427; PubChem:CID137648465
|
Local ready
Direct docking supported
|
|
E3L050309
BDB050309
|
BDBM50264428
CSc1cccc2cc(C(=O)NCCc3nccs3)cnc12
|
C16H15N3OS2 329.450000 |
CXOUBSQVKSFXEB-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264428; PubChem:CID126609831
|
Local ready
Direct docking supported
|
|
E3L050310
BDB050310
|
BDBM50264449
O=C(NCCc1nccs1)c1cnc2c(O)cccc2c1
|
C15H13N3O2S 299.355000 |
VJCLLYAOFXZPKC-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264449; PubChem:CID137644943
|
Local ready
Direct docking supported
|
|
E3L050311
BDB050311
|
BDBM50264451
O=C(CNC(=O)c1cnc2c(SSc3cccc4cc(C(=O)NCC(=O)NCC(=O)OCc5ccccc5)cnc34)cccc2c1)NCC(=O)OCc1ccccc1
|
C42H36N6O8S2 816.918000 |
ZDPCBPHQTOFVFY-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264451; PubChem:CID74763382
|
Local ready
Direct docking supported
|
|
E3L050312
BDB050312
|
BDBM50264453
O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccc(N6CCOCC6)cc5)cnc34)cccc2c1
|
C43H42N6O3S2 754.982000 |
LVFIFRMFZBIODZ-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264453; PubChem:CID137644429
|
Local ready
Direct docking supported
|
|
E3L050313
BDB050313
|
BDBM50264455
O=C(NCc1ccc2c(c1)OCO2)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccc6c(c5)OCO6)cnc34)cccc2c1
|
C36H26N4O6S2 674.760000 |
JCTJRDCMJZWTNM-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264455; PubChem:CID126599609
|
Local ready
Direct docking supported
|
|
E3L050314
BDB050314
|
BDBM50264457
O=C(NCc1ccc(F)cc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccc(F)cc5)cnc34)cccc2c1
|
C34H24F2N4O2S2 622.722000 |
BDPASXNXAYPLTI-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264457; PubChem:CID126599634
|
Local ready
Direct docking supported
|
|
E3L050315
BDB050315
|
BDBM50264459
O=C(NCc1ccccn1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccccn5)cnc34)cccc2c1
|
C32H24N6O2S2 588.718000 |
ZGBWITBAJFSYHV-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264459; PubChem:CID126599616
|
Local ready
Direct docking supported
|
|
E3L050316
BDB050316
|
BDBM50264471
O=C(NCc1nccs1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5nccs5)cnc34)cccc2c1
|
C28H20N6O2S4 600.776000 |
GAKYIVFGFVBUQD-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264471; PubChem:CID126599619
|
Local ready
Direct docking supported
|
|
E3L050317
BDB050317
|
BDBM50264472
CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(OS(C)(=O)=O)cc2)c1)C(=O)O
|
C21H25NO7S 435.498000 |
KTBRVDGWQNIOAO-QCBCRBAMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50264472; PubChem:CID25115101
|
Local ready
Direct docking supported
|
|
E3L050318
BDB050318
|
BDBM50264473
CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(OC)cc2)c1)C(=O)O
|
C21H25NO5 371.433000 |
JUZATUUCGGQIOT-QCBCRBAMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50264473; PubChem:CID25115103
|
Local ready
Direct docking supported
|
|
E3L050319
BDB050319
|
BDBM50264474
CCO[C@@H](Cc1cccc(/C(C)=N/OCc2ccc(C(C)(C)C)cc2)c1)C(=O)O
|
C24H31NO4 397.515000 |
YNLLYXSXZYBJED-ALAMRGAJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50264474; PubChem:CID25115556
|
Local ready
Direct docking supported
|
|
E3L050320
BDB050320
|
BDBM50264475
CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(F)cc3)C2)c1)C(=O)O
|
C20H20FNO4 357.381000 |
SHEXHMGVCDIUNB-GGYWPGCISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50264475; PubChem:CID25115793
|
Local ready
Direct docking supported
|