| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054161
BDB054161
|
BDBM50365566
CCOC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1
|
C28H32ClN3O3 494.035000 |
LKTNMPJKOYDWSA-NOZRDPDXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365566; PubChem:CID46931948
|
Local ready
Direct docking supported
|
|
E3L054162
BDB054162
|
BDBM50365567
COCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1
|
C28H32ClN3O3 494.035000 |
FLJXDBJCDHFAHQ-NOZRDPDXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365567; PubChem:CID46931949
|
Local ready
Direct docking supported
|
|
E3L054163
BDB054163
|
BDBM50365568
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c(C)c1
|
C28H30F2N2O2 464.556000 |
XFWYGUIBGIDKJT-NAKRPHOHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365568; PubChem:CID46931735
|
Local ready
Direct docking supported
|
|
E3L054164
BDB054164
|
BDBM50365569
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]23OC(=O)c2cc(F)c(F)cc23)c(C)c1
|
C29H28F2N2O3 490.550000 |
FIFCWVYDHYLFKR-IRPSRAIASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365569; PubChem:CID52934924
|
Local ready
Direct docking supported
|
|
E3L054165
BDB054165
|
BDBM50365570
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)c(C)c1
|
C29H30F2N2O2 476.567000 |
KXYKMUNCCMRISX-UHSQPCAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365570; PubChem:CID52934690
|
Local ready
Direct docking supported
|
|
E3L054166
BDB054166
|
BDBM50365571
COCC(F)(F)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2ccc(-c3ccccc3CCNC(C)=O)cc2C)cc1
|
C33H40F2N2O4 566.689000 |
IWJPAZAMBMFUOO-VTIYRKAUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365571; PubChem:CID46931848
|
Local ready
Direct docking supported
|
|
E3L054167
BDB054167
|
BDBM50365572
COC[C@H](C)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2ccc(-c3ccccc3CCNC(C)=O)cc2C)cc1
|
C34H44N2O4 544.736000 |
QUFANDXAWBYANX-MITYIVFKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50365572; PubChem:CID46912235
|
Local ready
Direct docking supported
|
|
E3L054168
BDB054168
|
BDBM50365737
O=C(O)C(Oc1ccc(Cl)cc1F)c1ccc(Cl)cc1
|
C14H9Cl2FO3 315.127000 |
PSMGAHLRUIFDMM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50365737; PubChem:CID57397473
|
Local ready
Direct docking supported
|
|
E3L054169
BDB054169
|
2-(4-Chloro-2-fluorophenoxy)-2-phenylacetic acid
O=C(O)C(Oc1ccc(Cl)cc1F)c1ccccc1
|
C14H10ClFO3 280.682000 |
IVGSVJWAEACCDB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50365738; PubChem:CID57393940
|
Local ready
Direct docking supported
|
|
E3L054170
BDB054170
|
BDBM50365739
O=C(O)C(Cc1cccc(F)c1)Oc1ccccc1C(F)(F)F
|
C16H12F4O3 328.261000 |
DWBVWSKNXQOVIW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50365739; PubChem:CID57392192
|
Local ready
Direct docking supported
|
|
E3L054171
BDB054171
|
BDBM50365740
O=C(O)C(Cc1cccc(F)c1)Oc1ccc(Cl)cc1F
|
C15H11ClF2O3 312.699000 |
HVDJHNLZHYQTLC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50365740; PubChem:CID57390390
|
Local ready
Direct docking supported
|
|
E3L054172
BDB054172
|
2-(4-Chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
O=C(O)C(Cc1ccc(F)cc1)Oc1ccc(Cl)cc1
|
C15H12ClFO3 294.709000 |
SMVSZIQBLBEBJB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50365741; PubChem:CID57400967
|
Local ready
Direct docking supported
|
|
E3L054173
BDB054173
|
2-(4-Chlorophenoxy)-3-(3-fluorophenyl)propanoic acid
O=C(O)C(Cc1cccc(F)c1)Oc1ccc(Cl)cc1
|
C15H12ClFO3 294.709000 |
LJQZKSLYOTZDFL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50365742; PubChem:CID57400966
|
Local ready
Direct docking supported
|
|
E3L054174
BDB054174
|
2-(4-Chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
O=C(O)C(Cc1ccccc1F)Oc1ccc(Cl)cc1
|
C15H12ClFO3 294.709000 |
HVZUYEQXUQHOKT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50365743; PubChem:CID57395675
|
Local ready
Direct docking supported
|
|
E3L054175
BDB054175
|
BDBM50365744
O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)c(C(F)(F)F)c1
|
C16H12ClF3O3 344.716000 |
HFMTXPZDYAOPOI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50365744; PubChem:CID57399155
|
Local ready
Direct docking supported
|
|
E3L054176
BDB054176
|
2-(4-Chloro-3-fluorophenoxy)-3-phenylpropanoic acid
O=C(O)C(Cc1ccccc1)Oc1ccc(Cl)c(F)c1
|
C15H12ClFO3 294.709000 |
YBVUSESTVXQRGM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50365745; PubChem:CID57390449
|
Local ready
Direct docking supported
|
|
E3L054177
BDB054177
|
BDBM50365746
O=C(O)[C@H](Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1F
|
C15H11Cl2FO3 329.154000 |
YAQRTSUWRLFVKP-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50365746; PubChem:CID57345616
|
Local ready
Direct docking supported
|
|
E3L054178
BDB054178
|
BDBM50365747
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1F
|
C15H12ClFO3 294.709000 |
ZEHZQOVONKPTFH-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50365747; PubChem:CID57399207
|
Local ready
Direct docking supported
|
|
E3L054179
BDB054179
|
3-Phenyl-2-[2-(trifluoromethyl)phenoxy]propanoic acid
O=C(O)C(Cc1ccccc1)Oc1ccccc1C(F)(F)F
|
C16H13F3O3 310.271000 |
JCMORGCVUQVSRU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50365748; PubChem:CID57397528
|
Local ready
Direct docking supported
|
|
E3L054180
BDB054180
|
BDBM50365749
O=C(O)[C@H](Cc1ccccc1)Oc1cccc(C(F)(F)F)c1
|
C16H13F3O3 310.271000 |
NNGOCJYFFSOKRY-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50365749; PubChem:CID57399206
|
Local ready
Direct docking supported
|