| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012061
BDB012061
|
BDBM254006
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3cccnc3OC)nc3ccccn23)c(C#Cc2ccc3c(C)nccc3c2)n1
|
C34H29N7O2 567.653000 |
OOIACXVWWQFCNE-QFIPXVFZSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM254006; PubChem:CID118862995
|
Local ready
Direct docking supported
|
|
E3L012062
BDB012062
|
BDBM254008
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](C[C@H](C)C(F)(F)F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H25Cl2F4N3O5 654.444000 |
XYTHOOGTVUYJBG-KXMGABSLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254008
|
Local ready
Direct docking supported
|
|
E3L012063
BDB012063
|
BDBM254009
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](C[C@@H](C)C(F)(F)F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H25Cl2F4N3O5 654.444000 |
XYTHOOGTVUYJBG-XSNHHLJVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254009
|
Local ready
Direct docking supported
|
|
E3L012064
BDB012064
|
BDBM254010
COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](C[C@H](C)C(F)(F)F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H26Cl2F4N4O4 653.460000 |
BEKZQVIDIKMVPK-KXMGABSLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254010
|
Local ready
Direct docking supported
|
|
E3L012065
BDB012065
|
BDBM254011
COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](C[C@@H](C)C(F)(F)F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H26Cl2F4N4O4 653.460000 |
BEKZQVIDIKMVPK-XSNHHLJVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254011
|
Local ready
Direct docking supported
|
|
E3L012066
BDB012066
|
BDBM254012
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)CF)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F
|
C31H29Cl2F2N3O5 632.491000 |
PKUBNXZBVDLSFQ-VOSTZOEXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254012
|
Local ready
Direct docking supported
|
|
E3L012067
BDB012067
|
BDBM254013
COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)CF)[C@@]2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F
|
C31H30Cl2F2N4O4 631.507000 |
INQDNFRBWRWRNC-VOSTZOEXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254013
|
Local ready
Direct docking supported
|
|
E3L012068
BDB012068
|
BDBM254014
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)CF)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C31H29Cl2F2N3O5 632.491000 |
PKUBNXZBVDLSFQ-ISKXDESKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254014
|
Local ready
Direct docking supported
|
|
E3L012069
BDB012069
|
BDBM254016
CCOC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](C[C@@H](C)C(F)(F)F)[C@@]3(C(=O)Nc4cc(Cl)ccc43)C2c2cccc(Cl)c2F)c(OC)c1
|
C32H29Cl2F4N3O5 682.498000 |
KBLDTSBKELBYLQ-JRUYRZCXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254016
|
Local ready
Direct docking supported
|
|
E3L012070
BDB012070
|
BDBM254021
COC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC3(CF)CC3)C3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)c(OC)c1
|
C32H29Cl2F2N3O5 644.502000 |
IOAIQZCOATXIRX-BUVORYGASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254021
|
Local ready
Direct docking supported
|
|
E3L012071
BDB012071
|
BDBM254022
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC2(CF)CC2)C2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C31H27Cl2F2N3O5 630.475000 |
NTXATSJNATTZSH-QTCVMIJUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254022
|
Local ready
Direct docking supported
|
|
E3L012072
BDB012072
|
BDBM254023
COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC2(CF)CC2)C2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C31H28Cl2F2N4O4 629.491000 |
GQORJGJPBDYZJA-QTCVMIJUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254023
|
Local ready
Direct docking supported
|
|
E3L012073
BDB012073
|
BDBM254024
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC2(CF)CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C31H27Cl2F2N3O5 630.475000 |
NTXATSJNATTZSH-ISKXDESKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254024
|
Local ready
Direct docking supported
|
|
E3L012074
BDB012074
|
BDBM254025
COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC2(CF)CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C31H28Cl2F2N4O4 629.491000 |
GQORJGJPBDYZJA-ISKXDESKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM254025
|
Local ready
Direct docking supported
|
|
E3L012075
BDB012075
|
BDBM255476
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)O
|
C36H37N5O8S 699.786000 |
QFXFIEVXAUEHEV-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM255476; PubChem:CID121249201
|
Local ready
Direct docking supported
|
|
E3L012076
BDB012076
|
Gsk-lsd1
c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1
|
C14H20N2 216.328000 |
BASFYRLYJAZPPL-UONOGXRCSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM256459; PubChem:CID71522234
|
Local ready
Direct docking supported
|
|
E3L012077
BDB012077
|
MLi-2
C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1
|
C21H25N5O2 379.464000 |
ATUUNJCZCOMUKD-OKILXGFUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM257207; PubChem:CID78319901
|
Local ready
Direct docking supported
|
|
E3L012078
BDB012078
|
BDBM259324
Cc1cc(C)c(CNC(=O)c2scc(OC(C)C)c2C)c(=O)[nH]1
|
C17H22N2O3S 334.441000 |
ZZWWTDIYKHELAP-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259324; PubChem:CID86764798
|
Local ready
Direct docking supported
|
|
E3L012079
BDB012079
|
BDBM259325
CCN(c1csc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C21H29N3O3S 403.548000 |
DNSRVUFQXXUPCK-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259325; PubChem:CID86764909
|
Local ready
Direct docking supported
|
|
E3L012080
BDB012080
|
BDBM259326
CCN(c1c(Cl)sc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C21H28ClN3O3S 437.993000 |
PIUDMQZOXJMZKR-UHFFFAOYSA-N | O75530, Q09028 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM259326; PubChem:CID86764910
|
Local ready
Direct docking supported
|