| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012981
BDB012981
|
US10022354, Example 238
CC(C)c1cc(C(=O)N2CCC(n3cc(Br)c(C(C)C)n3)C2)[nH]n1
|
C17H24BrN5O 394.317000 |
DCRXVACKSSPPPU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281298; PubChem:CID121279601
|
Local ready
Direct docking supported
|
|
E3L012982
BDB012982
|
US10022354, Example 239
CC(C)c1cc(C(=O)N2CCC(n3cc(Br)c(C(F)F)n3)C2)[nH]n1
|
C15H18BrF2N5O 402.243000 |
ZDGORKSIJKXEFY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281299; PubChem:CID121279651
|
Local ready
Direct docking supported
|
|
E3L012983
BDB012983
|
US10022354, Example 240
CC(C)c1cc(C(=O)N2CCC(n3cc(Br)c(C#N)n3)C2)[nH]n1
|
C15H17BrN6O 377.246000 |
AOLCXPRXMXDDTE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281300; PubChem:CID121279653
|
Local ready
Direct docking supported
|
|
E3L012984
BDB012984
|
US10022354, Example 242
CC(C)c1cc(C(=O)N2CC[C@@H](n3cc4ccccc4n3)C2)[nH]n1
|
C18H21N5O 323.400000 |
YPWRVUVDHQOIOG-CQSZACIVSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281301; PubChem:CID121279655
|
Local ready
Direct docking supported
|
|
E3L012985
BDB012985
|
US10022354, Example 243
CC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)[nH]n1
|
C18H21N5O 323.400000 |
FQVVHLCCNNXJAA-CQSZACIVSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281302; PubChem:CID121279658
|
Local ready
Direct docking supported
|
|
E3L012986
BDB012986
|
US10022354, Example 244
CC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4ccc(Cl)nc43)C2)[nH]n1
|
C17H19ClN6O 358.833000 |
WIDJORNOUBRPJU-GFCCVEGCSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281303; PubChem:CID121279717
|
Local ready
Direct docking supported
|
|
E3L012987
BDB012987
|
US10022354, Example 245
CC(C)c1cc(C(=O)N2CCC(n3ncc4c(F)cc(Br)cc43)C2)[nH]n1
|
C18H19BrFN5O 420.286000 |
BGQWJADVUDVPGP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281304; PubChem:CID121279706
|
Local ready
Direct docking supported
|
|
E3L012988
BDB012988
|
US10022354, Example 246
CC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4c(F)cccc43)C2)[nH]n1
|
C18H20FN5O 341.390000 |
HLXDUAZYMLTSNI-GFCCVEGCSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281305; PubChem:CID121279746
|
Local ready
Direct docking supported
|
|
E3L012989
BDB012989
|
US10022354, Example 247
CC(C)c1cc(C(=O)N2CC[C@@H](n3cc4c(F)cccc4n3)C2)[nH]n1
|
C18H20FN5O 341.390000 |
CTDFWMZSABWUDQ-GFCCVEGCSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281306; PubChem:CID121279744
|
Local ready
Direct docking supported
|
|
E3L012990
BDB012990
|
BDBM286212
CC(C)(C)C(=O)Oc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(-c5cccnc5)ccc4=O)c3)nc2c1
|
C29H26N6O4 522.565000 |
SAUILKCYRLFCSW-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286212; PubChem:CID77847375
|
Local ready
Direct docking supported
|
|
E3L012991
BDB012991
|
US9567320, Example 2
O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(-c3cccnc3)ccc2=O)c1
|
C24H18N6O2 422.448000 |
UTOZPXKJAQSTDL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286217; PubChem:CID77847376
|
Local ready
Direct docking supported
|
|
E3L012992
BDB012992
|
US9567320, Example 5
O=C(Nc1nc2cc(CO)ccc2[nH]1)c1cccc(Cn2nc(-c3cccnc3)ccc2=O)c1
|
C25H20N6O3 452.474000 |
SJQNLSWHMMJEKW-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286238; PubChem:CID76955703
|
Local ready
Direct docking supported
|
|
E3L012993
BDB012993
|
US9567320, Example 6
CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(-c5cccnc5)ccc4=O)c3)nc2c1
|
C28H25N7O3 507.554000 |
GDTWJJTWBAUDNO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286247; PubChem:CID77847460
|
Local ready
Direct docking supported
|
|
E3L012994
BDB012994
|
US9567320, Example 8
O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(-c3cncnc3)ccc2=O)c1
|
C23H17N7O2 423.436000 |
XRKNHCDVUQOHPG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286250; PubChem:CID77847462
|
Local ready
Direct docking supported
|
|
E3L012995
BDB012995
|
US9567320, Example 9
Nc1ccc(-c2ccc(=O)n(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)n2)cn1
|
C24H19N7O2 437.463000 |
ORMBYKCYPHAKHE-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286259; PubChem:CID77847463
|
Local ready
Direct docking supported
|
|
E3L012996
BDB012996
|
US9567320, Example 10
Cc1cc(=O)n(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)nc1-c1cccnc1
|
C25H20N6O2 436.475000 |
XHVPTBMGJJXGQG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286262; PubChem:CID77847464
|
Local ready
Direct docking supported
|
|
E3L012997
BDB012997
|
US9567320, Example 11
CN(C)Cc1ccc(-c2ccc(=O)n(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)n2)cn1
|
C27H25N7O2 479.544000 |
VVKMRBVNRSPKPR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286268; PubChem:CID77847549
|
Local ready
Direct docking supported
|
|
E3L012998
BDB012998
|
US9567320, Example 12
Cc1ccncc1-c1ccc(=O)n(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)n1
|
C25H20N6O2 436.475000 |
SROHQTVBFJMGJK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286276; PubChem:CID77847550
|
Local ready
Direct docking supported
|
|
E3L012999
BDB012999
|
US9567320, Example 13
Cc1cc(-c2ccc(=O)n(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)n2)cnn1
|
C24H19N7O2 437.463000 |
DIVBAVIPIJCFQU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286306; PubChem:CID77847552
|
Local ready
Direct docking supported
|
|
E3L013000
BDB013000
|
US9567320, Example 15
COc1cc2nc(NC(=O)c3cccc(Cn4nc(-c5cccnc5)ccc4=O)c3)[nH]c2cc1OC
|
C26H22N6O4 482.500000 |
XRAMVXDDZUODTO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM286321; PubChem:CID77847635
|
Local ready
Direct docking supported
|