| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054621
BDB054621
|
BDBM50382086
CCCCCS(=O)(=O)NC(=O)OCCCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C24H30ClF3N2O7S 583.025000 |
BTRCLXPPTYOVBL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382086; PubChem:CID16036133
|
Local ready
Direct docking supported
|
|
E3L054622
BDB054622
|
BDBM50382087
CCCCCNS(=O)(=O)NC(=O)CCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl
|
C23H29ClF3N3O6S 568.014000 |
RTJAODPUBZWLQJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382087; PubChem:CID16036257
|
Local ready
Direct docking supported
|
|
E3L054623
BDB054623
|
BDBM50382088
CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCOC)cc1Oc1ccc(C(F)(F)F)cn1
|
C23H27F3N2O6S 516.538000 |
DFHJZKQQZADTKM-JXMROGBWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50382088; PubChem:CID70696195
|
Local ready
Direct docking supported
|
|
E3L054624
BDB054624
|
BDBM50382114
COc1ccc(Cn2c(C)nc(Cc3ccc(N)cc3)c2Cc2ccc(Cl)cc2)cc1
|
C26H26ClN3O 431.967000 |
MHEKRKYUGZKZOH-UHFFFAOYSA-N | O15151 | Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50382114; PubChem:CID70696176
|
Local ready
Direct docking supported
|
|
E3L054625
BDB054625
|
BDBM50382115
CC(C)CCn1cnc(-c2ccccc2)c1-c1c[nH]c2cc(Cl)ccc12
|
C22H22ClN3 363.892000 |
KQWCRTLKSSPIOZ-UHFFFAOYSA-N | O15151 | Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50382115; PubChem:CID66561791
|
Local ready
Direct docking supported
|
|
E3L054626
BDB054626
|
BDBM50382116
Clc1ccc(Cn2cnc(-c3ccccc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1
|
C24H17Cl2N3 418.327000 |
FNCHBNHNYWOHDO-UHFFFAOYSA-N | O15151 | Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50382116; PubChem:CID25105771
|
Local ready
Direct docking supported
|
|
E3L054627
BDB054627
|
BDBM50382117
O=C(NCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1
|
C31H29Cl2N5O2 574.512000 |
IFORBTVIRBZFON-UHFFFAOYSA-N | O15151 | Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50382117; PubChem:CID56951871
|
Local ready
Direct docking supported
|
|
E3L054628
BDB054628
|
BDBM50382327
Cc1c(C(=O)Nc2cccc(O)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
|
C23H16Cl3N3O2 472.759000 |
KBDDMDHJOCKTJB-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50382327; PubChem:CID70693933
|
Local ready
Direct docking supported
|
|
E3L054629
BDB054629
|
BDBM50382328
CCOC(=O)C(C)(C)Oc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)c1
|
C29H26Cl3N3O4 586.903000 |
RHTSHAPSXDVMKC-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50382328; PubChem:CID53356799
|
Local ready
Direct docking supported
|
|
E3L054630
BDB054630
|
BDBM50382329
Cc1c(C(=O)Nc2ccc(O)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
|
C23H16Cl3N3O2 472.759000 |
AONQVKRIOAZBTM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50382329; PubChem:CID70685551
|
Local ready
Direct docking supported
|
|
E3L054631
BDB054631
|
BDBM50382330
CCOC(=O)C(C)(C)Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)cc1
|
C29H26Cl3N3O4 586.903000 |
MDCYCOKLZVSKNZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50382330; PubChem:CID70683449
|
Local ready
Direct docking supported
|
|
E3L054632
BDB054632
|
BDBM50382331
CNC[C@H](C[C@H]1CCCOC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1
|
C26H41ClN4O5 525.090000 |
GCNDDOJRCKHYLZ-ZXMXYHOLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50382331; PubChem:CID53497561
|
Local ready
Direct docking supported
|
|
E3L054633
BDB054633
|
BDBM50382332
CNC[C@H](CC1CCOCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1
|
C26H41ClN4O5 525.090000 |
PNDYJPUJHZPECK-NHTMILBNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50382332; PubChem:CID46861797
|
Local ready
Direct docking supported
|
|
E3L054634
BDB054634
|
BDBM50382333
CNC[C@@H](NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)[C@@H](O)C1CCCCC1
|
C27H43ClN4O5 539.117000 |
GOOZHZPTJHCQEV-VGCGRUFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50382333; PubChem:CID59201574
|
Local ready
Direct docking supported
|
|
E3L054635
BDB054635
|
Vtp-27999
CN[C@H](CNC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@H]1CCCOC1
|
C26H41ClN4O5 525.090000 |
NXWASIVXQMMPLM-ZXMXYHOLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50382334; PubChem:CID16126898
|
Local ready
Direct docking supported
|
|
E3L054636
BDB054636
|
BDBM50382335
COCCCC[C@@](O)(c1cccc(Cl)c1F)[C@@H]1CCCN(C(=O)NC[C@@H](N)CC2CCCCC2)C1
|
C27H43ClFN3O3 512.110000 |
LGZMQYLGIALXSF-VHSZZVNMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50382335; PubChem:CID57544848
|
Local ready
Direct docking supported
|
|
E3L054637
BDB054637
|
BDBM50382336
CNC[C@H](C[C@@H]1CCCOC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1
|
C26H41ClN4O5 525.090000 |
GCNDDOJRCKHYLZ-ZXHYAQOVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50382336; PubChem:CID58017410
|
Local ready
Direct docking supported
|
|
E3L054638
BDB054638
|
Dubermatinib
CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1
|
C24H30ClN7O2S 516.071000 |
YUAALFPUEOYPNX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382425; PubChem:CID56839178
|
Local ready
Direct docking supported
|
|
E3L054639
BDB054639
|
BDBM50382931
CC(=O)Nc1ccc(-c2cc(NC3CC3)n3ncc(C#N)c3n2)cc1N1CC[C@@H](N(C)C)C1
|
C24H28N8O 444.543000 |
VFBLFECRYNKCDV-LJQANCHMSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50382931; PubChem:CID137634100
|
Local ready
Direct docking supported
|
|
E3L054640
BDB054640
|
Agerafenib
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
|
C24H22F3N5O5 517.464000 |
DKNUPRMJNUQNHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382959; PubChem:CID56846693
|
Local ready
Direct docking supported
|