| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059841
BDB059841
|
BDBM50538305
CS(=O)(=O)c1nc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C1CCCC1
|
C15H17BrClN3O5S2 498.808000 |
ZBIVDOJYQHNICX-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538305; PubChem:CID146019259
|
Local ready
Direct docking supported
|
|
E3L059842
BDB059842
|
BDBM50538479
COc1ccc(S(=O)(=O)Cc2ccc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C25H23NO6S2 497.594000 |
UAQWWYCFJATMOR-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50538479; PubChem:CID139559717
|
Local ready
Direct docking supported
|
|
E3L059843
BDB059843
|
BDBM50538483
COc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)O)c3ccccc23)cc1
|
C20H17NO5S 383.425000 |
YUOBCQLPCYWAEV-NTUHNPAUSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50538483; PubChem:CID139559624
|
Local ready
Direct docking supported
|
|
E3L059844
BDB059844
|
BDBM50538485
COc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)O)c3ccccc23)cc1
|
C20H19NO5S 385.441000 |
XTZHHZTZEHWJCZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50538485; PubChem:CID139561380
|
Local ready
Direct docking supported
|
|
E3L059845
BDB059845
|
1,4-Bis[(4-methoxyphenyl)sulfonylmethyl]naphthalene
COc1ccc(S(=O)(=O)Cc2ccc(CS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C26H24O6S2 496.606000 |
CTVMSHYMKUDVHF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50538486; PubChem:CID156015564
|
Local ready
Direct docking supported
|
|
E3L059846
BDB059846
|
BDBM50538488
COc1ccc(S(=O)(=O)Cc2ccc(N(C(C(=O)O)c3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C33H29NO8S2 631.728000 |
ZHEFPECDJHKMHP-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50538488; PubChem:CID156021237
|
Local ready
Direct docking supported
|
|
E3L059847
BDB059847
|
BDBM50538489
COc1ccc(S(=O)(=O)Nc2ccc(N(C(C)C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C27H26N2O8S2 570.645000 |
GSPXMSUWDWFXCY-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50538489; PubChem:CID156010121
|
Local ready
Direct docking supported
|
|
E3L059848
BDB059848
|
BDBM50538490
COc1ccc(S(=O)(=O)Cc2ccc(N([C@H](C)C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C28H27NO8S2 569.657000 |
ZGCAXGWKZBFCEZ-LJQANCHMSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50538490; PubChem:CID156010955
|
Local ready
Direct docking supported
|
|
E3L059849
BDB059849
|
BDBM50538491
COc1ccc(S(=O)(=O)Cc2ccc(N([C@@H](C)C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C28H27NO8S2 569.657000 |
ZGCAXGWKZBFCEZ-IBGZPJMESA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50538491; PubChem:CID139559930
|
Local ready
Direct docking supported
|
|
E3L059850
BDB059850
|
BDBM50538571
Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)c1O[C@@H]1CCNC[C@@H]1C
|
C28H30ClN3O3S 524.086000 |
LSPPODQSTNTKTE-AAORLSLPSA-N | P09936, Q6GQQ9 | Ubiquitin carboxyl-terminal hydrolase isozyme L1, OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM50538571; PubChem:CID138609936
|
Local ready
Direct docking supported
|
|
E3L059851
BDB059851
|
BDBM50538808
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O
|
C54H68N9O12S+ 1067.256000 |
SLIIQFIECPRWSD-KPZWOUCOSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50538808
|
Local ready
Direct docking supported
|
|
E3L059852
BDB059852
|
BDBM50538809
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O
|
C63H77N10O13S+ 1214.433000 |
DWHVELUHKZEMNM-CSSHXORXSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50538809
|
Local ready
Direct docking supported
|
|
E3L059853
BDB059853
|
BDBM50538811
CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O
|
C73H85BrN11O16S+ 1484.515000 |
JZLPRLQRTFDCLM-MQEJUTFJSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50538811
|
Local ready
Direct docking supported
|
|
E3L059854
BDB059854
|
BDBM50538812
CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O)C1CCCC1
|
C71H87BrN11O16S+ 1462.509000 |
XSHXVWHTZPAYJC-TYYHSMTLSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50538812
|
Local ready
Direct docking supported
|
|
E3L059855
BDB059855
|
BDBM50538813
CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O)C1CCCC1
|
C75H95N12O17S+ 1468.719000 |
KNTVOGGZZGGXNN-JSWZDDDHSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50538813
|
Local ready
Direct docking supported
|
|
E3L059856
BDB059856
|
BDBM50538814
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O
|
C73H93N12O17S+ 1442.681000 |
RCSAYGIFQPCHRP-OVYBDDONSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50538814
|
Local ready
Direct docking supported
|
|
E3L059857
BDB059857
|
BDBM50539202
O=C(Cc1ccc(Nc2nccc(NC3CCCC3)n2)cc1)NC1CCCCC1
|
C23H31N5O 393.535000 |
RIZUAVMTLJDZPO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50539202; PubChem:CID156019575
|
Local ready
Direct docking supported
|
|
E3L059858
BDB059858
|
BDBM50539507
C[C@H](CCCOc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(C(F)(F)F)cc1)CC(=O)O
|
C25H24F6N2O3 514.466000 |
YSSLMLSKYLOHJM-MRXNPFEDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50539507; PubChem:CID132009332
|
Local ready
Direct docking supported
|
|
E3L059859
BDB059859
|
BDBM50539509
C[C@H](CCCOc1ccccc1Cn1c(Cl)cnc1-c1ccc(C(F)(F)F)cc1)CC(=O)O
|
C24H24ClF3N2O3 480.914000 |
YBDMLCZZFCXIHA-MRXNPFEDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50539509; PubChem:CID132009335
|
Local ready
Direct docking supported
|
|
E3L059860
BDB059860
|
BDBM50539510
C[C@H](CCCOc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(C#N)cc1)CC(=O)O
|
C25H24F3N3O3 471.479000 |
DXLKPRPZCXLXEJ-QGZVFWFLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50539510; PubChem:CID132009690
|
Local ready
Direct docking supported
|