| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055561
BDB055561
|
BDBM50421784
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C43H71N5O10 818.066000 |
IHSVEKFITZVOIL-XRSSCVGRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421784
|
Local ready
Direct docking supported
|
|
E3L055562
BDB055562
|
BDBM50421798
Cc1cc(Cc2cnc(N)nc2N)cc(C(C)(C)C)c1N
|
C16H23N5 285.395000 |
KZSMXIPIEBXNOZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50421798; PubChem:CID13739864
|
Local ready
Direct docking supported
|
|
E3L055563
BDB055563
|
BDBM50421799
CC(C)c1cc(Cc2cnc(N)nc2N)cc(C(C)C)c1N
|
C17H25N5 299.422000 |
MXXZIOROTLECGR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50421799; PubChem:CID13739862
|
Local ready
Direct docking supported
|
|
E3L055564
BDB055564
|
3-Decyl-5,5'-diphenyl-2-thioxo-4-imidazolidinone
CCCCCCCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S
|
C25H32N2OS 408.611000 |
ACGQTBAFQLDLFS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50422746; PubChem:CID11502403
|
Local ready
Direct docking supported
|
|
E3L055565
BDB055565
|
BDBM50422754
CCCCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N(CCCCCCC)C1=S
|
C29H40N2OS 464.719000 |
OOWUVZSCUJKBIT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422754; PubChem:CID11503652
|
Local ready
Direct docking supported
|
|
E3L055566
BDB055566
|
BDBM50422755
CCCCCCCC/C=C\CCCCCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S
|
C33H46N2OS 518.811000 |
NKCJBMPDKSPONS-KTKRTIGZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422755; PubChem:CID11678010
|
Local ready
Direct docking supported
|
|
E3L055567
BDB055567
|
5,5-Bis(4-chlorophenyl)-3-heptylimidazolidine-2,4-dione
CCCCCCCN1C(=O)NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O
|
C22H24Cl2N2O2 419.352000 |
JKDNIMFAAXNVBC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422756; PubChem:CID12147321
|
Local ready
Direct docking supported
|
|
E3L055568
BDB055568
|
5,5-Diphenyl-3-tetradecylimidazolidine-2,4-dione
CCCCCCCCCCCCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
|
C29H40N2O2 448.651000 |
OWMSLBRCNNBLRQ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422757; PubChem:CID11633743
|
Local ready
Direct docking supported
|
|
E3L055569
BDB055569
|
5,5-Diphenyl-3-(2-phenylethyl)imidazolidine-2,4-dione
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCc1ccccc1
|
C23H20N2O2 356.425000 |
XMZSRGIUWAMNDJ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422758; PubChem:CID44406745
|
Local ready
Direct docking supported
|
|
E3L055570
BDB055570
|
BDBM50422759
CCCCCCCCCCCCCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S
|
C31H44N2OS 492.773000 |
PDECHEOPDLDSKL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422759; PubChem:CID11496881
|
Local ready
Direct docking supported
|
|
E3L055571
BDB055571
|
5,5-Bis(4-fluorophenyl)-3-octylimidazolidine-2,4-dione
CCCCCCCCN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O
|
C23H26F2N2O2 400.469000 |
XTRSXUZGIWXJTF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422760; PubChem:CID44294353
|
Local ready
Direct docking supported
|
|
E3L055572
BDB055572
|
BDBM50422761
O=c1[nH]c(-c2ccccc2)c(O)n1-c1ccccc1
|
C15H12N2O2 252.273000 |
YRRSHVPRUYFAQW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50422761
|
Local ready
Direct docking supported
|
|
E3L055573
BDB055573
|
3-Octyl-5,5-diphenylimidazolidine-2,4-dione
CCCCCCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
|
C23H28N2O2 364.489000 |
JQWCZAYQDXLFEW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422762; PubChem:CID44294262
|
Local ready
Direct docking supported
|
|
E3L055574
BDB055574
|
5,5-Bis(4-bromophenyl)-3-octylimidazolidine-2,4-dione
CCCCCCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O
|
C23H26Br2N2O2 522.281000 |
KAFVQJWWTGTUHM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422763; PubChem:CID44294434
|
Local ready
Direct docking supported
|
|
E3L055575
BDB055575
|
3-Heptyl-5,5-diphenylimidazolidine-2,4-dione
CCCCCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
|
C22H26N2O2 350.462000 |
XYCUPWIQTMBVDZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422764; PubChem:CID11646006
|
Local ready
Direct docking supported
|
|
E3L055576
BDB055576
|
3-Ethyl-5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
CCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S
|
C17H16N2OS 296.395000 |
NGSGJRHVUHIATF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422765; PubChem:CID11483338
|
Local ready
Direct docking supported
|
|
E3L055577
BDB055577
|
BDBM50422766
COCCCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S
|
C19H20N2O2S 340.448000 |
OTTVGVKHTFTSTG-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422766; PubChem:CID11175205
|
Local ready
Direct docking supported
|
|
E3L055578
BDB055578
|
3-Pentyl-5,5-diphenylimidazolidine-2,4-dione
CCCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
|
C20H22N2O2 322.408000 |
XZTILQZICIFCGW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422767; PubChem:CID44294346
|
Local ready
Direct docking supported
|
|
E3L055579
BDB055579
|
BDBM50422768
CCCCCCCN1C(=O)C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)NC1=S
|
C22H24Cl2N2OS 435.420000 |
BLFLFLCFTOYEOH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422768; PubChem:CID11453321
|
Local ready
Direct docking supported
|
|
E3L055580
BDB055580
|
3-Decyl-5,5-diphenylimidazolidine-2,4-dione
CCCCCCCCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
|
C25H32N2O2 392.543000 |
DQBZMQJEWUDYKT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50422769; PubChem:CID11696827
|
Local ready
Direct docking supported
|