| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052161
BDB052161
|
BDBM50314649
CC(=O)N(C)Cc1ccc(Cl)c(CN(C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H40Cl3N3O3 645.071000 |
LDJHYSRTVHXITO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314649; PubChem:CID46883801
|
Local ready
Direct docking supported
|
|
E3L052162
BDB052162
|
BDBM50314650
Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCCN(C)C)ccc3Cl)C3CC3)cc2)c(Cl)c1
|
C35H44Cl3N3O2 645.115000 |
DYGTZUDCRYLTSM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314650; PubChem:CID46883802
|
Local ready
Direct docking supported
|
|
E3L052163
BDB052163
|
BDBM50314651
COCCCc1cc(Cl)c(Cl)c(CN(C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H40Cl4N2O3 666.517000 |
PQAFUDFHGAKJHZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314651; PubChem:CID46883803
|
Local ready
Direct docking supported
|
|
E3L052164
BDB052164
|
BDBM50314652
Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1
|
C33H36Cl3N3O2 613.029000 |
QZRDZGGZGABLDM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314652; PubChem:CID46883844
|
Local ready
Direct docking supported
|
|
E3L052165
BDB052165
|
BDBM50314653
Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cc(CCCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1
|
C34H38Cl3N3O2 627.056000 |
BOGNZMNIJKBCJR-MHZLTWQESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314653; PubChem:CID46883845
|
Local ready
Direct docking supported
|
|
E3L052166
BDB052166
|
BDBM50314654
Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCCO)ccc3Cl)C3CC3)cc2)c(Cl)c1
|
C33H39Cl3N2O3 618.045000 |
JYRFCCLPIJHNRI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314654; PubChem:CID46883846
|
Local ready
Direct docking supported
|
|
E3L052167
BDB052167
|
BDBM50314655
COCCCc1cc(CN(C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1
|
C33H40Cl3N3O3 633.060000 |
GZPYZOSKISZVND-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314655; PubChem:CID46883847
|
Local ready
Direct docking supported
|
|
E3L052168
BDB052168
|
BDBM50314656
COCCCc1cc(CN(C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-]
|
C33H40Cl3N3O4 649.059000 |
XDQLMSRLTKRTOW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314656; PubChem:CID46883848
|
Local ready
Direct docking supported
|
|
E3L052169
BDB052169
|
BDBM50314658
NCC(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C29H29Cl3F2N2O2 581.918000 |
ARKBMNLTGFBKCG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314658; PubChem:CID15981186
|
Local ready
Direct docking supported
|
|
E3L052170
BDB052170
|
BDBM50314659
NCCC(CC(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1
|
C30H31Cl3F2N2O2 595.945000 |
SJQLWFYLRHHGAF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314659; PubChem:CID46884482
|
Local ready
Direct docking supported
|
|
E3L052171
BDB052171
|
BDBM50314660
CNCC(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C30H31Cl3F2N2O2 595.945000 |
AUJWASLBKNLABL-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314660; PubChem:CID15981118
|
Local ready
Direct docking supported
|
|
E3L052172
BDB052172
|
BDBM50314661
O=C(C(CNCc1ccccc1)Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C36H35Cl3F2N2O2 672.043000 |
PPBSDRHRLCOCPR-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314661; PubChem:CID15981153
|
Local ready
Direct docking supported
|
|
E3L052173
BDB052173
|
BDBM50314662
CC(CN)(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C30H31Cl3F2N2O2 595.945000 |
KBBHXCQPIMWCBS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50314662; PubChem:CID15981185
|
Local ready
Direct docking supported
|
|
E3L052174
BDB052174
|
BDBM50314728
COc1ccc(C(=O)ON=C2C=C(C)C(=O)C(C)=C2)cc1
|
C16H15NO4 285.299000 |
XPJOSLKXXOAVEN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50314728; PubChem:CID710899
|
Local ready
Direct docking supported
|
|
E3L052175
BDB052175
|
BDBM50314811
Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccc(Cl)cc4)oc3C)cc2)cc1
|
C29H27ClN2O6 534.996000 |
QNBMJPHGJSBCGA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314811; PubChem:CID46197994
|
Local ready
Direct docking supported
|
|
E3L052176
BDB052176
|
BDBM50314812
Cc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCc3nc(-c4ccc(Cl)cc4)oc3C)cc2)cc1
|
C28H25ClN2O6 520.969000 |
VRDAVFHETQPZNA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314812; PubChem:CID46197995
|
Local ready
Direct docking supported
|
|
E3L052177
BDB052177
|
BDBM50314813
Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCCc3nc(-c4ccc(Cl)cc4)oc3C)c2)cc1
|
C29H27ClN2O6 534.996000 |
UQBCHBGORUKRAW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50314813; PubChem:CID46197996
|
Local ready
Direct docking supported
|
|
E3L052178
BDB052178
|
BDBM50314814
Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3nc(-c4ccc(Cl)cc4)oc3C)c2)cc1
|
C28H25ClN2O6 520.969000 |
HUZRXZVIBUNCKL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314814; PubChem:CID45254002
|
Local ready
Direct docking supported
|
|
E3L052179
BDB052179
|
BDBM50314815
Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3oc(-c4ccc(Cl)cc4)nc3C)c2)cc1
|
C28H25ClN2O6 520.969000 |
ZIBSWHKBQDUZFU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314815; PubChem:CID46198106
|
Local ready
Direct docking supported
|
|
E3L052180
BDB052180
|
BDBM50314816
Cc1ccc(OC(=O)N(CC(=O)O)Cc2cccc(OCc3sc(-c4ccc(Cl)cc4)nc3C)c2)cc1
|
C28H25ClN2O5S 537.037000 |
HXOBOMSWNSTKJY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50314816; PubChem:CID46198107
|
Local ready
Direct docking supported
|