| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045821
BDB045821
|
BDBM50103954
CC(C)OC(Cc1ccc(OCCc2noc(-c3ccccc3)n2)cc1)C(=O)O
|
C22H24N2O5 396.443000 |
PYYRREGNQSPRRH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103954; PubChem:CID44316826
|
Local ready
Direct docking supported
|
|
E3L045822
BDB045822
|
BDBM50103955
CC(C)OC(Cc1ccc(OCc2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1)C(=O)O
|
C25H30N2O5 438.524000 |
UNOREIGWESJDHG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103955; PubChem:CID10410878
|
Local ready
Direct docking supported
|
|
E3L045823
BDB045823
|
BDBM50103956
Cc1cccc(-c2nc(COc3ccc(CC(OC(C)C)C(=O)O)cc3)no2)c1
|
C22H24N2O5 396.443000 |
IAFWMQLCVYEVEF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50103956; PubChem:CID44316506
|
Local ready
Direct docking supported
|
|
E3L045824
BDB045824
|
BDBM50103957
CC(C)OC(Cc1ccc(OCCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)O
|
C24H22F6N2O5 532.437000 |
BJHZSSYBTHEQGF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103957; PubChem:CID44316383
|
Local ready
Direct docking supported
|
|
E3L045825
BDB045825
|
BDBM50103958
CC(C)OC(Cc1ccc(OCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)O
|
C21H21FN2O5 400.406000 |
NGCBWFOLJZBGAA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103958; PubChem:CID44316348
|
Local ready
Direct docking supported
|
|
E3L045826
BDB045826
|
BDBM50103959
CC(C)OC(Cc1ccc(OCc2noc(-c3ccc(OC(F)(F)F)cc3)n2)cc1)C(=O)O
|
C22H21F3N2O6 466.412000 |
JGVVJDWQQMDOFB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103959; PubChem:CID44316591
|
Local ready
Direct docking supported
|
|
E3L045827
BDB045827
|
BDBM50103960
CC(C)OC(Cc1ccc(OCCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)O
|
C22H23FN2O5 414.433000 |
CCIAKLNNTHBVOZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50103960; PubChem:CID44316825
|
Local ready
Direct docking supported
|
|
E3L045828
BDB045828
|
BDBM50104156
Cc1cc(C(=O)O)nc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)n1
|
C20H20F3N3O2 391.393000 |
XODSGAMMDBEEFN-ZSOGYDGISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50104156
|
Local ready
Direct docking supported
|
|
E3L045829
BDB045829
|
BDBM50104285
CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
|
C13H20N4O 248.330000 |
SQCWABLHLAOJBR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50104285; PubChem:CID135417158
|
Local ready
Direct docking supported
|
|
E3L045830
BDB045830
|
BDBM50104286
O=c1[nH]c(N2CCN(Cc3ccncc3)CC2)nc2c1CCCC2
|
C18H23N5O 325.416000 |
NZSKSXWSNJEOQY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50104286; PubChem:CID135567045
|
Local ready
Direct docking supported
|
|
E3L045831
BDB045831
|
2-(4-Isopropylphenyl)-2,3-dihydroquinazolin-4(1H)-one
CC(C)c1ccc(C2NC(=O)c3ccccc3N2)cc1
|
C17H18N2O 266.344000 |
NYTCUHJCCYJJIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50104287; PubChem:CID4163640
|
Local ready
Direct docking supported
|
|
E3L045832
BDB045832
|
2-(4-tert-Butylphenyl)-2,3-dihydroquinazoline-4(1H)-one
CC(C)(C)c1ccc(C2NC(=O)c3ccccc3N2)cc1
|
C18H20N2O 280.371000 |
ZKKFHBDYTOSSFW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50104288; PubChem:CID4826644
|
Local ready
Direct docking supported
|
|
E3L045833
BDB045833
|
Gabexate
CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1
|
C16H23N3O4 321.377000 |
YKGYIDJEEQRWQH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50104435; PubChem:CID3447
|
Local ready
Direct docking supported
|
|
E3L045834
BDB045834
|
BDBM50105356
COc1ccc(COc2cccc(OCCOc3ccc4c(c3)c(CC(=O)O)cn4Cc3ccccc3)c2)cc1
|
C33H31NO6 537.612000 |
YGTWCTKFYRNRQE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50105356; PubChem:CID122183534
|
Local ready
Direct docking supported
|
|
E3L045835
BDB045835
|
BDBM50105357
Cc1ccc(COc2cccc(OCCCOc3ccc4[nH]cc(CC(=O)O)c4c3)c2)cc1
|
C27H27NO5 445.515000 |
BJCOHSADJVMCQT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50105357; PubChem:CID51038993
|
Local ready
Direct docking supported
|
|
E3L045836
BDB045836
|
BDBM50105358
O=C(O)Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(OCc4ccc(Cl)cc4)c3)cc12
|
C33H30ClNO5 556.058000 |
PCAGDDUBDAYPIT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50105358; PubChem:CID51039006
|
Local ready
Direct docking supported
|
|
E3L045837
BDB045837
|
BDBM50105359
Cc1ccc(COc2cccc(OCCCOc3ccc4c(CC(=O)O)cn(Cc5ccccc5)c4c3)c2)cc1
|
C34H33NO5 535.640000 |
HKEXDKBHQFGUAM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50105359; PubChem:CID122183546
|
Local ready
Direct docking supported
|
|
E3L045838
BDB045838
|
BDBM50105912
Nc1nccc(-c2cn(C(=O)N3CCOCC3)c3ccc(Br)cc23)n1
|
C17H16BrN5O2 402.252000 |
PTQHCVXFSMUUIH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50105912; PubChem:CID76314850
|
Local ready
Direct docking supported
|
|
E3L045839
BDB045839
|
5-(4-Pyridin-3-ylthiophen-2-yl)-1,3-thiazole
c1cncc(-c2csc(-c3cncs3)c2)c1
|
C12H8N2S2 244.344000 |
WNKQZLFWZLQFOH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50105913; PubChem:CID122184057
|
Local ready
Direct docking supported
|
|
E3L045840
BDB045840
|
BDBM50106104
CC(C)(Oc1cccc(CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)O
|
C32H31Cl2N3O6 624.521000 |
ABCWIDLSWVPNPO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106104; PubChem:CID44331750
|
Local ready
Direct docking supported
|