| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L006301
BDB006301
|
BDBM143715
COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)C(c1ccc(C#N)c(F)c1)N(c1c[nH]c(=O)c(Cl)c1)C2=O
|
C27H24ClFN8O3 562.993000 |
NIQDSHQHXGATPM-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143715; PubChem:CID89601178
|
Local ready
Direct docking supported
|
|
E3L006302
BDB006302
|
BDBM143719
COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)c(F)c1)N(c1cc(Cl)cn(C)c1=O)C2=O
|
C27H26Cl2FN7O3 586.455000 |
RNZZSMCPSZIPLM-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143719; PubChem:CID89601453
|
Local ready
Direct docking supported
|
|
E3L006303
BDB006303
|
BDBM143723
COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)c(F)c1)N(c1cc(Cl)c[nH]c1=O)C2=O
|
C26H24Cl2FN7O3 572.428000 |
SPSDWBLEDCVGLA-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143723; PubChem:CID89611128
|
Local ready
Direct docking supported
|
|
E3L006304
BDB006304
|
BDBM143727
COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C27H26Cl2FN7O3 586.455000 |
RKQCNVIHAFSPMO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143727; PubChem:CID89601189
|
Local ready
Direct docking supported
|
|
E3L006305
BDB006305
|
BDBM143730
COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)c(F)c1)N(c1c[nH]c(=O)c(Cl)c1)C2=O
|
C26H24Cl2FN7O3 572.428000 |
OZTFXLSOURVIGT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143730; PubChem:CID89601342
|
Local ready
Direct docking supported
|
|
E3L006306
BDB006306
|
BDBM143734
COc1ncc(-n2nc3c(c2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(C)cn(C)c2=O)C3=O)c(OC)n1
|
C27H27ClN6O4 535.004000 |
BQVXYVMHLPJQST-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143734; PubChem:CID89601771
|
Local ready
Direct docking supported
|
|
E3L006307
BDB006307
|
BDBM143740
COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(C)cn(C)c1=O)C2=O
|
C28H30ClN7O3 548.047000 |
IKDAKUWICQIDSR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM143740; PubChem:CID89611256
|
Local ready
Direct docking supported
|
|
E3L006308
BDB006308
|
Gilteritinib
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1
|
C29H44N8O3 552.724000 |
GYQYAJJFPNQOOW-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM144315; PubChem:CID49803313
|
Local ready
Direct docking supported
|
|
E3L006309
BDB006309
|
BDBM144636
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1
|
C29H34Cl2FNO5S 598.564000 |
IHUMWHKQAVMWCV-HXZUPTHJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM144636; PubChem:CID86731830
|
Local ready
Direct docking supported
|
|
E3L006310
BDB006310
|
BDBM144637
COc1cc(NC(=O)C[C@@]2(C)C[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ccc1C(=O)O
|
C37H42Cl2N2O7S 729.723000 |
JVBGVXAXEZXWTE-MCUOQOIASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM144637
|
Local ready
Direct docking supported
|
|
E3L006311
BDB006311
|
BDBM144638
COc1cc(NC(=O)C[C@@]2(C)C[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)c(F)c3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ccc1C(=O)O
|
C37H41Cl2FN2O7S 747.713000 |
QGOICCMBEDDFCI-NXQGQTBASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM144638
|
Local ready
Direct docking supported
|
|
E3L006312
BDB006312
|
BDBM147193
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12
|
C33H29BrN2O3 581.510000 |
HBMXDCXJXYASGW-NRFANRHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM147193; PubChem:CID53239853
|
Local ready
Direct docking supported
|
|
E3L006313
BDB006313
|
BDBM147194
Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12
|
C36H38N2O 514.713000 |
NWDXDTJXABISAM-VWLOTQADSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM147194; PubChem:CID71099259
|
Local ready
Direct docking supported
|
|
E3L006314
BDB006314
|
BDBM147195
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N(C)Cc3ccccc3)cc12
|
C33H30N2O3 502.614000 |
OOQAXNXGYWQSIZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM147195; PubChem:CID71074869
|
Local ready
Direct docking supported
|
|
E3L006315
BDB006315
|
BDBM147196
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3cccc(S(C)(=O)=O)c3)cc12
|
C33H30N2O5S 566.679000 |
ZMWATRMDQDIDQQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM147196; PubChem:CID71074567
|
Local ready
Direct docking supported
|
|
E3L006316
BDB006316
|
BDBM147197
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3cccc(OC(F)(F)F)c3)cc12
|
C33H27F3N2O4 572.583000 |
ULDFXGIIGHXCHO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM147197; PubChem:CID71074745
|
Local ready
Direct docking supported
|
|
E3L006317
BDB006317
|
BDBM147198
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(Br)cc3)cc12
|
C33H29BrN2O3 581.510000 |
HBMXDCXJXYASGW-OAQYLSRUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM147198; PubChem:CID71074285
|
Local ready
Direct docking supported
|
|
E3L006318
BDB006318
|
BDBM147199
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccc(I)cc3)cc12
|
C32H27IN2O3 614.483000 |
SEPFCGHYUGMVEJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM147199; PubChem:CID71074934
|
Local ready
Direct docking supported
|
|
E3L006319
BDB006319
|
BDBM147200
[C-]#[N+]c1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1
|
C33H27N3O3 513.597000 |
WVYASGUTSVLAOB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM147200; PubChem:CID91819659
|
Local ready
Direct docking supported
|
|
E3L006320
BDB006320
|
BDBM147201
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccc(C(C)C)cc3)cc12
|
C35H34N2O3 530.668000 |
PLVLHFFVGPMWLJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM147201; PubChem:CID71074825
|
Local ready
Direct docking supported
|