| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058081
BDB058081
|
BDBM50502542
Cc1cc(Cc2noc3c2CCOc2cc(Br)ccc2-3)cc(C)c1OC(C)(C)C(=O)O
|
C24H24BrNO5 486.362000 |
DCTJIDOURAJMSO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50502542; PubChem:CID155540834
|
Local ready
Direct docking supported
|
|
E3L058082
BDB058082
|
BDBM50502543
Cc1cc(CCc2cc(-c3ccc(Br)cc3)on2)cc(C)c1OC(C)(C)C(=O)O
|
C23H24BrNO4 458.352000 |
LWEDOTNITCBNCO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50502543; PubChem:CID155511861
|
Local ready
Direct docking supported
|
|
E3L058083
BDB058083
|
BDBM50502544
Cc1cc(Cc2cnoc2-c2ccc(Br)cc2)cc(C)c1OC(C)(C)C(=O)O
|
C22H22BrNO4 444.325000 |
ISQDQTVORBPAJC-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50502544; PubChem:CID155543569
|
Local ready
Direct docking supported
|
|
E3L058084
BDB058084
|
BDBM50502545
Cc1cc(Cc2onc3c2CCOc2cc(Br)ccc2-3)cc(C)c1OC(C)(C)C(=O)O
|
C24H24BrNO5 486.362000 |
SOJKGCGNZKUGNO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50502545; PubChem:CID155527435
|
Local ready
Direct docking supported
|
|
E3L058085
BDB058085
|
BDBM50502546
Cc1cc(-c2cc(-c3ccc(Br)cc3)on2)cc(C)c1OC(C)(C)C(=O)O
|
C21H20BrNO4 430.298000 |
JHDOOXUQWFRRAD-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50502546; PubChem:CID155566529
|
Local ready
Direct docking supported
|
|
E3L058086
BDB058086
|
BDBM50502723
COC1(c2ncc(F)cc2C(F)F)C=C(C#N)C(=O)C2(CC2)C1
|
C16H13F3N2O2 322.286000 |
PWIUJSZGHZNZSH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502723; PubChem:CID155529372
|
Local ready
Direct docking supported
|
|
E3L058087
BDB058087
|
BDBM50502724
COC1(c2ncccc2C(F)(F)F)C=C(C#N)C(=O)C(C)(C)C1
|
C16H15F3N2O2 324.302000 |
DFYZORBOTKVKRC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502724; PubChem:CID150024611
|
Local ready
Direct docking supported
|
|
E3L058088
BDB058088
|
BDBM50502725
COC1(c2ncc(F)cc2-c2cnc(C)s2)C=C(C#N)C(=O)C(C)(C)C1
|
C19H18FN3O2S 371.437000 |
ZDVFNTWQKWVJEJ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502725; PubChem:CID149484089
|
Local ready
Direct docking supported
|
|
E3L058089
BDB058089
|
BDBM50502726
CO[C@]1(c2ncccc2C(F)F)C=C(C#N)C(=O)C2(CC2)C1
|
C16H14F2N2O2 304.296000 |
GTNVTONZQZYADB-MRXNPFEDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502726; PubChem:CID155566325
|
Local ready
Direct docking supported
|
|
E3L058090
BDB058090
|
BDBM50502727
COC1(c2ncc(F)cc2Br)C=C(C#N)C(=O)C(C)(C)C1
|
C15H14BrFN2O2 353.191000 |
QIMAIJUNIXIXKO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502727; PubChem:CID151590841
|
Local ready
Direct docking supported
|
|
E3L058091
BDB058091
|
BDBM50502728
COC1(c2ncc(F)cc2OC(F)F)C=C(C#N)C(=O)C(C)(C)C1
|
C16H15F3N2O3 340.301000 |
SBUONPYJIJURMT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502728; PubChem:CID146819721
|
Local ready
Direct docking supported
|
|
E3L058092
BDB058092
|
BDBM50502729
COC1(c2ncccc2-c2cnn(C)c2)C=C(C#N)C(=O)C(C)(C)C1
|
C19H20N4O2 336.395000 |
UVIJCHDXLGLQQL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502729; PubChem:CID152074111
|
Local ready
Direct docking supported
|
|
E3L058093
BDB058093
|
BDBM50502730
COC1(c2ncccc2Br)C=C(C#N)C(=O)C(C)(C)C1
|
C15H15BrN2O2 335.201000 |
GZPBVHCXCRZLJO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502730; PubChem:CID150380309
|
Local ready
Direct docking supported
|
|
E3L058094
BDB058094
|
BDBM50502731
COC1(c2cccnc2-c2cnn(C)c2)C=C(C#N)C(=O)C(C)(C)C1
|
C19H20N4O2 336.395000 |
PHNDKUXYYXVXMQ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502731; PubChem:CID151456260
|
Local ready
Direct docking supported
|
|
E3L058095
BDB058095
|
BDBM50502732
COC1(c2ncc(F)cc2-c2cnn(C)c2)C=C(C#N)C(=O)C(C)(C)C1
|
C19H19FN4O2 354.385000 |
UFTRYWQICMMERY-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502732; PubChem:CID151996422
|
Local ready
Direct docking supported
|
|
E3L058096
BDB058096
|
BDBM50502733
CO[C@]1(c2ncc(F)cc2-c2ccns2)C=C(C#N)C(=O)C(C)(C)C1
|
C18H16FN3O2S 357.410000 |
AMJALMCHLCZRNN-GOSISDBHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502733; PubChem:CID155518657
|
Local ready
Direct docking supported
|
|
E3L058097
BDB058097
|
BDBM50502734
CO[C@]1(c2ncc(F)cc2C(F)F)C=C(C#N)C(=O)C(C)(C)C1
|
C16H15F3N2O2 324.302000 |
BWBVUTUOBHKJGA-MRXNPFEDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50502734; PubChem:CID149845604
|
Local ready
Direct docking supported
|
|
E3L058098
BDB058098
|
BDBM50503115
C/C(=C1/c2ccc(Cc3c(C4CC4)nc4ccc(Cl)cn34)cc2COc2cc(F)ccc21)c1noc(=O)[nH]1
|
C29H22ClFN4O3 528.971000 |
ZOKBCLWPLALHLZ-CVKSISIWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503115; PubChem:CID136591472
|
Local ready
Direct docking supported
|
|
E3L058099
BDB058099
|
BDBM50503116
C/C(=C1/c2ccc(Cn3c(C4CC4)nc4c(Cl)nccc43)cc2COc2cc(F)ccc21)c1noc(=O)[nH]1
|
C28H21ClFN5O3 529.959000 |
NUPZFGWAEISNLL-OEAKJJBVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50503116; PubChem:CID155565380
|
Local ready
Direct docking supported
|
|
E3L058100
BDB058100
|
BDBM50503117
C/C(=C1/c2ccc(Cc3c(C4CC4)nc4c5c(ccn34)OCC5)cc2COc2cc(F)ccc21)c1noc(=O)[nH]1
|
C31H25FN4O4 536.563000 |
PAFUDXKNRRZNLK-JVWAILMASA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50503117
|
Local ready
Direct docking supported
|