| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016101
BDB016101
|
BDBM348057
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(CNS(C)(=O)=O)C4)n3)c2)cn1
|
C24H28N8O2S 492.609000 |
AWFRNUOSRQGDHJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348057; PubChem:CID121357936
|
Local ready
Direct docking supported
|
|
E3L016102
BDB016102
|
BDBM348058
CC(=O)NC12CC(Nc3nc(-c4cccc(-c5cnn(C)c5)c4)ncc3-c3cnn(C)c3)(C1)C2
|
C25H26N8O 454.538000 |
NBADYOMKUPUIOZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348058; PubChem:CID121360835
|
Local ready
Direct docking supported
|
|
E3L016103
BDB016103
|
BDBM348059
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCNS(C)(=O)=O)n3)c2)cn1
|
C21H24N8O2S 452.544000 |
CKWSTCUNVXJRFQ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348059; PubChem:CID121360884
|
Local ready
Direct docking supported
|
|
E3L016104
BDB016104
|
BDBM348060
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CCC[C@@H](O)[C@H]4O)n3)c2)cn1
|
C24H27N7O2 445.527000 |
UVHWQKYXRJARRI-BDTNDASRSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348060; PubChem:CID121357940
|
Local ready
Direct docking supported
|
|
E3L016105
BDB016105
|
BDBM348061
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CC(N)(C4)C5)n3)c2)cn1
|
C23H24N8 412.501000 |
SRYKBJDUNDIEDT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348061; PubChem:CID121357939
|
Local ready
Direct docking supported
|
|
E3L016106
BDB016106
|
BDBM348062
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC45CC(NS(C)(=O)=O)(C4)C5)n3)c2)cn1
|
C24H26N8O2S 490.593000 |
FODHFBZBRDGSRC-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348062; PubChem:CID121360800
|
Local ready
Direct docking supported
|
|
E3L016107
BDB016107
|
BDBM348063
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC(F)(F)F)n3)c2)cn1
|
C20H18F3N7 413.407000 |
NOWCMVVSLQGVBT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348063; PubChem:CID121357944
|
Local ready
Direct docking supported
|
|
E3L016108
BDB016108
|
BDBM348064
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC(F)(F)C(F)(F)C(F)(F)F)n3)c2)cn1
|
C22H18F7N7 513.421000 |
AFDWVDIRGUOXSE-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348064; PubChem:CID121357941
|
Local ready
Direct docking supported
|
|
E3L016109
BDB016109
|
BDBM348065
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CC[C@H](O)[C@@H]4O)n3)c2)cn1
|
C23H25N7O2 431.500000 |
SHIDRWICLBUMFI-PCCBWWKXSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348065; PubChem:CID121357942
|
Local ready
Direct docking supported
|
|
E3L016110
BDB016110
|
BDBM348066
CC(Nc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C)c1)C1CCN(S(C)(=O)=O)CC1
|
C26H32N8O2S 520.663000 |
TWGHPYFCGHSXBZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348066; PubChem:CID121357945
|
Local ready
Direct docking supported
|
|
E3L016111
BDB016111
|
BDBM348067
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC(O)C(F)(F)F)n3)c2)cn1
|
C21H20F3N7O 443.433000 |
ACAPLENTFKTEMU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348067; PubChem:CID121357943
|
Local ready
Direct docking supported
|
|
E3L016112
BDB016112
|
BDBM348068
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CC[C@H](NS(=O)(=O)C5CC5)CC4)n3)c2)cn1
|
C27H32N8O2S 532.674000 |
RTJFCHPKSSMXRR-YHBQERECSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM348068
|
Local ready
Direct docking supported
|
|
E3L016113
BDB016113
|
BDBM348069
CC(=O)N1CCC(O)(CNc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)CC1
|
C26H30N8O2 486.580000 |
LHUBYRTWKIWVMJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348069; PubChem:CID121357947
|
Local ready
Direct docking supported
|
|
E3L016114
BDB016114
|
BDBM348070
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCS(N)(=O)=O)n3)c2)cn1
|
C20H22N8O2S 438.517000 |
JJZLPUGFTQKJLL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348070; PubChem:CID121357946
|
Local ready
Direct docking supported
|
|
E3L016115
BDB016115
|
BDBM348071
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N[C@H]4CC[C@@H](C(=O)O)CC4)n3)c2)cn1
|
C25H27N7O2 457.538000 |
WOOXQOVNYHOKDD-NBEIKUQISA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM348071
|
Local ready
Direct docking supported
|
|
E3L016116
BDB016116
|
BDBM348072
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CC[C@H](F)[C@@H](O)C4)n3)c2)cn1
|
C23H24FN7O 433.491000 |
PIWMQOZJLWYWSF-SFTDATJTSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348072; PubChem:CID121357949
|
Local ready
Direct docking supported
|
|
E3L016117
BDB016117
|
BDBM348073
CN[C@H]1CCC[C@H](Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2cnn(C)c2)[C@@H]1O
|
C25H30N8O 458.570000 |
VVRUBFLZWRBKTA-RJGXRXQPSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348073; PubChem:CID121347706
|
Local ready
Direct docking supported
|
|
E3L016118
BDB016118
|
BDBM348074
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCCS(C)(=N)=O)n3)c2)cn1
|
C22H26N8OS 450.572000 |
PYNDPNVZINVDQN-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348074; PubChem:CID121357950
|
Local ready
Direct docking supported
|
|
E3L016119
BDB016119
|
BDBM348075
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4C[C@H](N)CC(F)(F)C4)n3)c2)cn1
|
C23H24F2N8 450.497000 |
MHPRLQWISRJHDD-LJQANCHMSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348075; PubChem:CID121347734
|
Local ready
Direct docking supported
|
|
E3L016120
BDB016120
|
BDBM348076
Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4C[C@@H](N)CC(F)(F)C4)n3)c2)cn1
|
C23H24F2N8 450.497000 |
MHPRLQWISRJHDD-IBGZPJMESA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM348076; PubChem:CID121347753
|
Local ready
Direct docking supported
|