| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062041
BDB062041
|
BDBM50593625
O=C(Nc1cccc2c(=O)[nH]ccc12)[C@H]1CCCNC1
|
C15H17N3O2 271.320000 |
CEPPOYASQJVNOB-JTQLQIEISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50593625; PubChem:CID168280387
|
Local ready
Direct docking supported
|
|
E3L062042
BDB062042
|
BDBM50593627
Cc1ccc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn12
|
C17H18N2O2 282.343000 |
MPXAEYSGFKRDQM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50593627; PubChem:CID71765184
|
Local ready
Direct docking supported
|
|
E3L062043
BDB062043
|
BDBM50593786
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(-c3ccccc3)c2)cc1
|
C30H28N2O10S2 640.692000 |
BSQIZSOPHQMJLT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593786; PubChem:CID168272701
|
Local ready
Direct docking supported
|
|
E3L062044
BDB062044
|
BDBM50593787
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(N(C)Cc3ccccc3)c2)cc1
|
C32H33N3O10S2 683.761000 |
HLCZXQQIVDPGBD-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593787; PubChem:CID168286264
|
Local ready
Direct docking supported
|
|
E3L062045
BDB062045
|
Keap1-Nrf2-IN-9
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccccc3)c2)cc1
|
C31H30N2O11S2 670.718000 |
WLXLBNHWWYEQCG-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593788; PubChem:CID139582005
|
Local ready
Direct docking supported
|
|
E3L062046
BDB062046
|
BDBM50593789
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(COc3ccccc3)c2)cc1
|
C31H30N2O11S2 670.718000 |
PKIDBIBKRRBDIS-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593789; PubChem:CID168289501
|
Local ready
Direct docking supported
|
|
E3L062047
BDB062047
|
BDBM50593790
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(Oc3ccccc3)c2)cc1
|
C30H28N2O11S2 656.691000 |
KFIHYZOPWIZFMU-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593790; PubChem:CID168277657
|
Local ready
Direct docking supported
|
|
E3L062048
BDB062048
|
BDBM50593791
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCCc3ccccc3)c2)cc1
|
C32H32N2O11S2 684.745000 |
YAZGINZMKRLDJP-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593791; PubChem:CID168294580
|
Local ready
Direct docking supported
|
|
E3L062049
BDB062049
|
BDBM50593792
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCCCc3ccccc3)c2)cc1
|
C33H34N2O11S2 698.772000 |
IAUPZZWJUFVQJA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593792; PubChem:CID168285628
|
Local ready
Direct docking supported
|
|
E3L062050
BDB062050
|
BDBM50593793
COc1ccc(COc2cc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)ccc2N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)cc1
|
C32H32N2O12S2 700.744000 |
OXPMJRFVNJYLMF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593793; PubChem:CID168269937
|
Local ready
Direct docking supported
|
|
E3L062051
BDB062051
|
BDBM50593794
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccc(F)cc3)c2)cc1
|
C31H29FN2O11S2 688.708000 |
GLCJZDMESDJEPO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593794; PubChem:CID168285788
|
Local ready
Direct docking supported
|
|
E3L062052
BDB062052
|
BDBM50593795
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccc(C)cc3)c2)cc1
|
C32H32N2O11S2 684.745000 |
XTQMICBWPLVONW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593795; PubChem:CID168270424
|
Local ready
Direct docking supported
|
|
E3L062053
BDB062053
|
BDBM50593796
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3cccnc3)c2)cc1
|
C30H29N3O11S2 671.706000 |
IDDVVOGRPYQGJG-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593796; PubChem:CID168269971
|
Local ready
Direct docking supported
|
|
E3L062054
BDB062054
|
BDBM50593797
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccc4ccccc4c3)c2)cc1
|
C35H32N2O11S2 720.778000 |
PMSGXACIVAJWLR-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593797; PubChem:CID168271276
|
Local ready
Direct docking supported
|
|
E3L062055
BDB062055
|
BDBM50593798
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccc(-c4ccccc4)cc3)c2)cc1
|
C37H34N2O11S2 746.816000 |
HCKKWFYCCAOKMN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593798; PubChem:CID168284312
|
Local ready
Direct docking supported
|
|
E3L062056
BDB062056
|
BDBM50593799
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(Oc3ccc4ccccc4c3)c2)cc1
|
C34H30N2O11S2 706.751000 |
FDKHUGAIEHHSKD-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593799; PubChem:CID168269099
|
Local ready
Direct docking supported
|
|
E3L062057
BDB062057
|
BDBM50593800
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3cccc4ccccc34)c2)cc1
|
C35H32N2O11S2 720.778000 |
YWENUUZTMLXNIY-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593800; PubChem:CID168297129
|
Local ready
Direct docking supported
|
|
E3L062058
BDB062058
|
BDBM50593801
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(Oc3ccc(-c4ccccc4)cc3)c2)cc1
|
C36H32N2O11S2 732.789000 |
CPDNIQLPUJRSQA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593801; PubChem:CID168292384
|
Local ready
Direct docking supported
|
|
E3L062059
BDB062059
|
BDBM50593802
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c(OCc3ccc(Oc4ccccc4)cc3)c2)cc1
|
C37H34N2O12S2 762.815000 |
KMLNCQNKHLOHEL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593802; PubChem:CID168277162
|
Local ready
Direct docking supported
|
|
E3L062060
BDB062060
|
BDBM50593803
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(C)cc3)c(OCc3ccccc3)c2)cc1
|
C31H30N2O9S2 638.720000 |
LLTUWAURQHDLMT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50593803; PubChem:CID168288361
|
Local ready
Direct docking supported
|