| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055501
BDB055501
|
BDBM50418568
CN(CCOc1ccc(CC(Nc2ccccc2C(=O)Cc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C33H31N3O5 549.627000 |
QCXQRVQRFRSCLV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418568; PubChem:CID10721363
|
Local ready
Direct docking supported
|
|
E3L055502
BDB055502
|
BDBM50418569
CN(CCOc1ccc(CC(Nc2ccccc2C(N=N)c2ccccc2)C(=O)O)cc1)c1ccccn1
|
C30H31N5O3 509.610000 |
LWTUYWZSAUHLDU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418569; PubChem:CID54056732
|
Local ready
Direct docking supported
|
|
E3L055503
BDB055503
|
BDBM50418570
CC(=O)CC(C)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
|
C21H23NO4 353.418000 |
CYIJYTDAFMHGTK-FQEVSTJZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418570; PubChem:CID53746690
|
Local ready
Direct docking supported
|
|
E3L055504
BDB055504
|
BDBM50418571
CCc1ccc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)nc1
|
C31H30N2O4 494.591000 |
LTQRPVFZQDTKGR-LJAQVGFWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418571; PubChem:CID10648889
|
Local ready
Direct docking supported
|
|
E3L055505
BDB055505
|
BDBM50418572
O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
|
C29H25NO4 451.522000 |
QNBBONUOVHBLSG-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418572; PubChem:CID44364575
|
Local ready
Direct docking supported
|
|
E3L055506
BDB055506
|
BDBM50418573
CN(CCOc1ccc(CC(Oc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C32H28N2O6 536.584000 |
NJSAQDDOJLEAJS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418573; PubChem:CID10578273
|
Local ready
Direct docking supported
|
|
E3L055507
BDB055507
|
BDBM50418574
CN(CCOc1ccc(CC(Nc2ccccc2S(=O)(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C31H29N3O6S 571.655000 |
MRFJHLGKGUJDAA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418574; PubChem:CID10626890
|
Local ready
Direct docking supported
|
|
E3L055508
BDB055508
|
BDBM50418575
CN(CCOc1ccc(CC(Nc2cccc3c2C(=O)c2ccccc2C3=O)C(=O)O)cc1)c1nc2ccccc2o1
|
C33H27N3O6 561.594000 |
NGWWWQAVVIAEKL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418575; PubChem:CID10578809
|
Local ready
Direct docking supported
|
|
E3L055509
BDB055509
|
BDBM50418576
CN(CCOc1ccc(C[C@H](Nc2ccccc2Oc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C31H29N3O5 523.589000 |
DSCSQRAZCPUSAT-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418576; PubChem:CID54584463
|
Local ready
Direct docking supported
|
|
E3L055510
BDB055510
|
BDBM50419723
O=C(c1c(Oc2ccccc2)n(-c2ccccc2)c2cc(Cl)ccc12)N1CCNCC1
|
C25H22ClN3O2 431.923000 |
FLAUMSZPBBJDBC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50419723; PubChem:CID57394201
|
Local ready
Direct docking supported
|
|
E3L055511
BDB055511
|
BDBM50419724
Cc1c(F)cccc1Cc1cc2c(cc1O)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2-c1ccccc1
|
C35H33F2N3O2 565.664000 |
OXROOOYWAHBMTP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50419724; PubChem:CID57401188
|
Local ready
Direct docking supported
|
|
E3L055512
BDB055512
|
BDBM50419725
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1[C@H]1C=CCCC1
|
C26H28FN3O2 433.527000 |
XGQGEYWNCFBSST-FQEVSTJZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50419725; PubChem:CID57404035
|
Local ready
Direct docking supported
|
|
E3L055513
BDB055513
|
BDBM50419726
Cc1ccccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccsc1
|
C25H25N3OS 415.562000 |
DNOFUKILXJXTTM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50419726; PubChem:CID57398835
|
Local ready
Direct docking supported
|
|
E3L055514
BDB055514
|
BDBM50419727
Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)cc1C
|
C33H38ClN3O4 576.137000 |
LHFGKDVPSAPJDC-SSEXGKCCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50419727; PubChem:CID16036820
|
Local ready
Direct docking supported
|
|
E3L055515
BDB055515
|
BDBM50419728
Cc1cccc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(F)cc3Cl)cc2)C2CC2)c1C
|
C31H32Cl2FN3O4 600.518000 |
XLDLXPUSLZSYMR-MUUNZHRXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50419728; PubChem:CID16066132
|
Local ready
Direct docking supported
|
|
E3L055516
BDB055516
|
BDBM50419729
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccc(O)cc2n1-c1ccc(F)cc1
|
C26H23F2N3O3 463.484000 |
QVSMYMXQTUQJCD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50419729; PubChem:CID57402998
|
Local ready
Direct docking supported
|
|
E3L055517
BDB055517
|
BDBM50420260
COC(=O)C(c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2N=C(SC)C1c1ccc(Cl)cc1
|
C25H19Cl3N2O3S 533.864000 |
QECOUAYDVXYVCR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50420260; PubChem:CID70682884
|
Local ready
Direct docking supported
|
|
E3L055518
BDB055518
|
BDBM50420261
COC(=O)C(c1ccc(Cl)cc1)N1C(=O)c2cccc(Cl)c2NC(=S)C1c1ccc(Cl)cc1
|
C24H17Cl3N2O3S 519.837000 |
FALALMAPVFZVGJ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50420261; PubChem:CID70697491
|
Local ready
Direct docking supported
|
|
E3L055519
BDB055519
|
BDBM50420262
COC(=O)C(c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2NC(=S)C1c1ccc(Cl)cc1
|
C24H17Cl3N2O3S 519.837000 |
ROCKDFSXPIQWDD-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50420262; PubChem:CID70693374
|
Local ready
Direct docking supported
|
|
E3L055520
BDB055520
|
BDBM50420263
COC(=O)C(c1ccc(Cl)cc1)N1C(=O)c2ccc(F)cc2NC(=S)C1c1ccc(Cl)cc1
|
C24H17Cl2FN2O3S 503.382000 |
CIUSCLQUSDSXLH-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50420263; PubChem:CID70689172
|
Local ready
Direct docking supported
|