| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047721
BDB047721
|
BDBM50179846
CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1)C(=O)O
|
C25H25F3O6 478.463000 |
RFDJLVVGZMAGPH-DEOSSOPVSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179846; PubChem:CID44409030
|
Local ready
Direct docking supported
|
|
E3L047722
BDB047722
|
LJ-529
CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
|
C18H18ClIN6O3S 560.805000 |
IRIUFVPPSHYZRM-PFHKOEEOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50180197; PubChem:CID11813713
|
Local ready
Direct docking supported
|
|
E3L047723
BDB047723
|
BDBM50180541
[N]C([N])=Nc1ccc(OC(=O)c2cc3cc([C]Cl)ccc3oc2=O)cc1
|
C18H8ClN3O4 365.732000 |
XSHNMAJLFUDBAH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50180541
|
Local ready
Direct docking supported
|
|
E3L047724
BDB047724
|
2-(2-thienyl)-1H-benzimidazole
c1csc(-c2nc3ccccc3[nH]2)c1
|
C11H8N2S 200.266000 |
XXCGVPNWMZKOER-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50180723; PubChem:CID506600
|
Local ready
Direct docking supported
|
|
E3L047725
BDB047725
|
BDBM50180851
CN(Cc1cc([C@H](CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1ccccc1
|
C24H23ClN4O4S 498.992000 |
NICLDNFOUWEYPY-FQEVSTJZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50180851; PubChem:CID118170891
|
Local ready
Direct docking supported
|
|
E3L047726
BDB047726
|
BDBM50180852
CN(Cc1cc(C(CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(C)(=O)=O
|
C19H21ClN4O4S 436.921000 |
USDLDJOPUXHGLC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50180852; PubChem:CID118170474
|
Local ready
Direct docking supported
|
|
E3L047727
BDB047727
|
BDBM50180853
Cn1nnc2cc(C(CC(=O)O)c3ccc(Cl)cc3)ccc21
|
C16H14ClN3O2 315.760000 |
LCHKWRPFWJXZAW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50180853; PubChem:CID127053094
|
Local ready
Direct docking supported
|
|
E3L047728
BDB047728
|
beta-(p-Chlorophenyl)propionic acid
O=C(O)CCc1ccc(Cl)cc1
|
C9H9ClO2 184.622000 |
BBSLOKZINKEUCR-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50180854; PubChem:CID123137
|
Local ready
Direct docking supported
|
|
E3L047729
BDB047729
|
BDBM50180862
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
|
C33H35N3O5 553.659000 |
TXTXUJCZFZSISJ-SVBPBHIXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50180862; PubChem:CID127051540
|
Local ready
Direct docking supported
|
|
E3L047730
BDB047730
|
BDBM50180863
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(C)C)C(=O)OC
|
C28H33N3O5 491.588000 |
OJGVAQYHHAIMOZ-RTFZILSDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50180863; PubChem:CID127051541
|
Local ready
Direct docking supported
|
|
E3L047731
BDB047731
|
BDBM50180864
CC[C@H](C)[C@H](NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)N[C@H](C(=O)OC)C(C)C
|
C28H33N3O5 491.588000 |
SWTHVLJASKSMJY-RTFZILSDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50180864; PubChem:CID127051542
|
Local ready
Direct docking supported
|
|
E3L047732
BDB047732
|
BDBM50180865
CC[C@H](C)[C@H](NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC
|
C29H35N3O5 505.615000 |
DSKXIRKCUGRZJR-MQQADFIWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50180865; PubChem:CID127051543
|
Local ready
Direct docking supported
|
|
E3L047733
BDB047733
|
BDBM50180866
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(C)C
|
C28H33N3O5 491.588000 |
ABYIXBHLPAQXPA-GMAHTHKFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50180866; PubChem:CID127050965
|
Local ready
Direct docking supported
|
|
E3L047734
BDB047734
|
BDBM50180867
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(C)C
|
C28H33N3O5 491.588000 |
DMOPRYXQRGZSPH-GMAHTHKFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50180867; PubChem:CID127050966
|
Local ready
Direct docking supported
|
|
E3L047735
BDB047735
|
BDBM50180868
CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
|
C32H34N4O4 538.648000 |
QXHBVJGLCMIHJL-UIOOFZCWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50180868; PubChem:CID127050967
|
Local ready
Direct docking supported
|
|
E3L047736
BDB047736
|
BDBM50180869
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)NC
|
C32H34N4O4 538.648000 |
NUROBXGZWIJWJT-OICBGKIFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50180869; PubChem:CID127050968
|
Local ready
Direct docking supported
|
|
E3L047737
BDB047737
|
Lauric Acid
CCCCCCCCCCCC(=O)O
|
C12H24O2 200.322000 |
POULHZVOKOAJMA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50180948; PubChem:CID3893
|
Local ready
Direct docking supported
|
|
E3L047738
BDB047738
|
BDBM50181532
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
|
C29H33FN6O4S 580.686000 |
QNJAKUMXJFWQOG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181532; PubChem:CID9916282
|
Local ready
Direct docking supported
|
|
E3L047739
BDB047739
|
BDBM50181534
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)o3)ncnc2cc1OCCCN1CCOCC1
|
C27H29FN6O5 536.564000 |
LTAXYBWNTNCTIU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181534; PubChem:CID11620791
|
Local ready
Direct docking supported
|
|
E3L047740
BDB047740
|
BDBM50181535
CCCCc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1
|
C23H31N5O3S 457.600000 |
JNRTVZLIHFRYQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181535; PubChem:CID11633940
|
Local ready
Direct docking supported
|