| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057701
BDB057701
|
BDBM50491034
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ccncc2)cc1
|
C32H32N2O4 508.618000 |
WXHDVJAQEUALFX-MUUNZHRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491034; PubChem:CID71584603
|
Local ready
Direct docking supported
|
|
E3L057702
BDB057702
|
BDBM50491035
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ccccc2F)cc1
|
C33H32FNO4 525.620000 |
DBDRFZLCBAYHGL-HHHXNRCGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491035; PubChem:CID56929503
|
Local ready
Direct docking supported
|
|
E3L057703
BDB057703
|
BDBM50491036
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2ccccc2C)cc1
|
C34H35NO4 521.657000 |
OJMLBCJMWGXJOP-GDLZYMKVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491036; PubChem:CID56929598
|
Local ready
Direct docking supported
|
|
E3L057704
BDB057704
|
(2S)-2-(4-phenoxyphenoxy)-3-phenylpropanoic acid
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1
|
C21H18O4 334.371000 |
IEXBOJGUGHJECN-FQEVSTJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491061; PubChem:CID73351899
|
Local ready
Direct docking supported
|
|
E3L057705
BDB057705
|
(2S)-2-(4-chlorophenoxy)-3-phenoxypropanoic acid
O=C(O)[C@H](COc1ccccc1)Oc1ccc(Cl)cc1
|
C15H13ClO4 292.718000 |
HMPAXRRYNVFCIU-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50491062; PubChem:CID73347300
|
Local ready
Direct docking supported
|
|
E3L057706
BDB057706
|
(2S)-2-(4-chlorophenoxy)-4-phenylbutanoic acid
O=C(O)[C@H](CCc1ccccc1)Oc1ccc(Cl)cc1
|
C16H15ClO3 290.746000 |
HRLXMODMTGEJSY-HNNXBMFYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491063; PubChem:CID73351898
|
Local ready
Direct docking supported
|
|
E3L057707
BDB057707
|
(2S)-2-(4-chlorophenoxy)-4-phenoxybutanoic acid
O=C(O)[C@H](CCOc1ccccc1)Oc1ccc(Cl)cc1
|
C16H15ClO4 306.745000 |
HRLPOMSPHMGSAX-HNNXBMFYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491064; PubChem:CID73347301
|
Local ready
Direct docking supported
|
|
E3L057708
BDB057708
|
BDBM50491065
O=C(O)[C@H](CCCc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
|
C17H16Cl2O3 339.218000 |
DYMKKSCJTKAYLD-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50491065; PubChem:CID73356438
|
Local ready
Direct docking supported
|
|
E3L057709
BDB057709
|
BDBM50491066
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(Cl)cc2)cc1
|
C21H17ClO3 352.817000 |
VHDBTNWKGVYASI-FQEVSTJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50491066; PubChem:CID73347302
|
Local ready
Direct docking supported
|
|
E3L057710
BDB057710
|
(2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid
O=C(O)[C@H](CCCc1ccccc1)Oc1ccc(Cl)cc1
|
C17H17ClO3 304.773000 |
KDRFONXTXKLKBO-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50491067; PubChem:CID73347299
|
Local ready
Direct docking supported
|
|
E3L057711
BDB057711
|
BDBM50491278
O=C(O)C1CCCCC1C(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O
|
C26H26N2O5 446.503000 |
LNENLABLFGGAFF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50491278; PubChem:CID3307826
|
Local ready
Direct docking supported
|
|
E3L057712
BDB057712
|
(R,S,R)-ML334
O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O
|
C26H26N2O5 446.503000 |
LNENLABLFGGAFF-BDTNDASRSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50491279; PubChem:CID40482358
|
Local ready
Direct docking supported
|
|
E3L057713
BDB057713
|
BDBM50491280
O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O
|
C26H26N2O5 446.503000 |
LNENLABLFGGAFF-UGGDCYSXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50491280; PubChem:CID665797
|
Local ready
Direct docking supported
|
|
E3L057714
BDB057714
|
BDBM50491629
C[C@@]12CC[C@@H](C[C@H](c3cn4c(-c5ccc(-c6ncc[nH]6)nc5)cnc4c(N)n3)C1)N2C(=O)CO
|
C24H26N8O2 458.526000 |
XSNKMPPKXVYLQO-CCHLGUQTSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50491629; PubChem:CID73352721
|
Local ready
Direct docking supported
|
|
E3L057715
BDB057715
|
BDBM50491630
Cn1ccc(-c2ccc(-c3cnc4c(N)nc([C@@H]5C[C@H]6CC[C@@H](C5)N6C(=O)c5nnc[nH]5)cn34)cn2)n1
|
C25H25N11O 495.551000 |
WXGLBDJABWNETN-OSYLJGHBSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50491630
|
Local ready
Direct docking supported
|
|
E3L057716
BDB057716
|
BDBM50491631
Nc1nc([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2nnc[nH]2)cn2c(-c3ccc(-c4ncc[nH]4)nc3)cnc12
|
C24H23N11O 481.524000 |
ORFHOOYRQSXWRQ-PHZGNYQRSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50491631
|
Local ready
Direct docking supported
|
|
E3L057717
BDB057717
|
BDBM50491632
Nc1nc([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2nnc[nH]2)cn2c(-c3cnn(-c4ccccc4)c3)cnc12
|
C25H24N10O 480.536000 |
FUTGBNURKSJNDA-OHFIKTQHSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50491632
|
Local ready
Direct docking supported
|
|
E3L057718
BDB057718
|
BDBM50491633
Nc1nc([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2nnc[nH]2)cn2c(-c3ccc(-c4ccccc4)nc3)cnc12
|
C27H25N9O 491.559000 |
ZLCNPQUYKAHNGY-OWZKRDHZSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50491633
|
Local ready
Direct docking supported
|
|
E3L057719
BDB057719
|
BDBM50491634
Nc1nc([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)CO)cn2c(-c3ccc(-c4ccccc4)nc3)cnc12
|
C26H26N6O2 454.534000 |
XRWVHPKHEAIWOF-OWZKRDHZSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50491634
|
Local ready
Direct docking supported
|
|
E3L057720
BDB057720
|
4,4'-Dihydroxy-2'-methoxychalcone
COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)cc1
|
C16H14O4 270.284000 |
PACBGANPVNHGNP-RUDMXATFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50492024; PubChem:CID5319688
|
Local ready
Direct docking supported
|