| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043721
BDB043721
|
BDBM50012255
COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1
|
C34H54N6O10S 738.905000 |
NMIWPNMFASWALT-SJTZDSSUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012255
|
Local ready
Direct docking supported
|
|
E3L043722
BDB043722
|
BDBM50012256
COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCN1CCOCC1
|
C31H50N6O10S 698.840000 |
WLTLARBMGKAORP-HVUBRIRVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012256
|
Local ready
Direct docking supported
|
|
E3L043723
BDB043723
|
BDBM50012257
COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C34H50F2N6O10S 772.869000 |
ILVIKHFAJWQSOQ-ZLBDCPSSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012257
|
Local ready
Direct docking supported
|
|
E3L043724
BDB043724
|
BDBM50012322
CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)NCc1cccc[n+]1[O-]
|
C50H76N10O11 993.217000 |
MLWGQBSRGOGMDI-FPOVYNMLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012322
|
Local ready
Direct docking supported
|
|
E3L043725
BDB043725
|
BDBM50012586
Nc1nnc(-c2nc(C3CCCCC3)n(-c3c(CC(=O)NC4CCCCC4)ccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)o1
|
C31H32Cl2F2N6O2 629.539000 |
SMUUKZTVPGSBEE-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012586; PubChem:CID67034825
|
Local ready
Direct docking supported
|
|
E3L043726
BDB043726
|
BDBM50012587
CC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1-n1c(C2CCCCC2)nc(-c2nnc(N)o2)c1-c1ccc(F)c(Cl)c1
|
C29H30Cl2F2N6O2 603.501000 |
SZZSUOGVLVLJPR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012587; PubChem:CID60167943
|
Local ready
Direct docking supported
|
|
E3L043727
BDB043727
|
BDBM50012588
O=C(O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1
|
C22H12Cl2F2N2O2 445.252000 |
FQIJHXGZFVSBLN-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012588; PubChem:CID67954174
|
Local ready
Direct docking supported
|
|
E3L043728
BDB043728
|
BDBM50012589
Fc1ccc(-c2c(-c3nnn[nH]3)nc(C3CCCCC3)n2-c2cccc(Cl)c2F)cc1Cl
|
C22H18Cl2F2N6 475.330000 |
APOKXFGOAIBPAE-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012589; PubChem:CID67032499
|
Local ready
Direct docking supported
|
|
E3L043729
BDB043729
|
BDBM50012590
O=C(O)c1nc(C2CCCCC2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1
|
C22H18Cl2F2N2O2 451.300000 |
OKZRWZNDCUYSPD-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012590; PubChem:CID67954173
|
Local ready
Direct docking supported
|
|
E3L043730
BDB043730
|
BDBM50012591
CNC(=O)Cc1ccc(Cl)c(F)c1-n1c(C2CCCCC2)nc(-c2nnc(N)o2)c1-c1ccc(F)c(Cl)c1
|
C26H24Cl2F2N6O2 561.420000 |
FXKYGUQUTHFCIZ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012591; PubChem:CID67032045
|
Local ready
Direct docking supported
|
|
E3L043731
BDB043731
|
BDBM50012592
Nc1nnc(-c2nc(C3CCCCC3)n(-c3cccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)o1
|
C23H19Cl2F2N5O 490.341000 |
XPRXKGPGGKKGGT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012592; PubChem:CID67954546
|
Local ready
Direct docking supported
|
|
E3L043732
BDB043732
|
BDBM50012593
Nc1nnc(-c2nc(C3CCCCC3)n(-c3c(CC(=O)Nc4ccccc4)ccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)o1
|
C31H26Cl2F2N6O2 623.491000 |
LVTCZQLXJGEKOF-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012593; PubChem:CID67954180
|
Local ready
Direct docking supported
|
|
E3L043733
BDB043733
|
BDBM50012594
O=C(O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2F)c1-c1cccc(Cl)c1
|
C22H13Cl2FN2O2 427.262000 |
BWKUHDIFHWGKSW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012594; PubChem:CID67035746
|
Local ready
Direct docking supported
|
|
E3L043734
BDB043734
|
BDBM50012595
Cc1cccc(-c2nc(C(=O)O)c(-c3cccc(Cl)c3)n2-c2cc(Cl)ccc2C)c1
|
C24H18Cl2N2O2 437.326000 |
UYJZPBBJELZWKZ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012595; PubChem:CID50996417
|
Local ready
Direct docking supported
|
|
E3L043735
BDB043735
|
BDBM50012596
Cc1ccc(Cl)cc1-n1c(-c2ccccc2)nc(C(=O)O)c1-c1cccc(Cl)c1
|
C23H16Cl2N2O2 423.299000 |
HGVSKSDYMUWDDZ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012596; PubChem:CID67035866
|
Local ready
Direct docking supported
|
|
E3L043736
BDB043736
|
BDBM50012597
NC(=O)c1nc(C2CCCCC2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1
|
C22H19Cl2F2N3O 450.316000 |
WCIBRTOQTDTZEH-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012597; PubChem:CID67032018
|
Local ready
Direct docking supported
|
|
E3L043737
BDB043737
|
BDBM50012598
Cc1nnc(-c2nc(C3CCCCC3)n(-c3cccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)o1
|
C24H20Cl2F2N4O 489.353000 |
WSYHJRPECYYALB-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012598; PubChem:CID67031670
|
Local ready
Direct docking supported
|
|
E3L043738
BDB043738
|
BDBM50012599
O=C(O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1
|
C22H14Cl2N2O2 409.272000 |
WAUQGZPPSFMSTO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50012599; PubChem:CID67954414
|
Local ready
Direct docking supported
|
|
E3L043739
BDB043739
|
BDBM50012745
COP(=O)(C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
|
C32H50N5O8P 663.753000 |
DOVBDVGFLOFMTQ-LAJGZZDBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012745
|
Local ready
Direct docking supported
|
|
E3L043740
BDB043740
|
BDBM50012746
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CP(=O)(OC)OC
|
C30H46N5O8P 635.699000 |
BKJQZESEEKMQLP-FWEHEUNISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012746; PubChem:CID90663434
|
Local ready
Direct docking supported
|