| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060601
BDB060601
|
BDBM50561811
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC3(CNC3)C2)[C@@H](O)[C@H]1O
|
C17H25N7O3 375.433000 |
NCRUFXAYDAGFNU-XNIJJKJLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561811; PubChem:CID130418904
|
Local ready
Direct docking supported
|
|
E3L060602
BDB060602
|
BDBM50561812
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCC3(CCNC3)CC2)[C@@H](O)[C@H]1O
|
C18H27N7O3 389.460000 |
OELHQJBNEWAHAK-LSCFUAHRSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561812; PubChem:CID162664014
|
Local ready
Direct docking supported
|
|
E3L060603
BDB060603
|
BDBM50561813
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCC3(CCNCC3)CC2)[C@@H](O)[C@H]1O
|
C19H29N7O3 403.487000 |
UGJVSJKLGRMFEI-SCFUHWHPSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561813; PubChem:CID162665239
|
Local ready
Direct docking supported
|
|
E3L060604
BDB060604
|
BDBM50561814
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC2)[C@@H](O)[C@H]1O
|
C14H20N6O3 320.353000 |
WESLZQQBTJAEIN-IDTAVKCVSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561814; PubChem:CID60074565
|
Local ready
Direct docking supported
|
|
E3L060605
BDB060605
|
BDBM50561815
NCC[C@H]1CCCN1C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C16H25N7O3 363.422000 |
VXDZQEMICWJXQW-ZGOQAQPGSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561815; PubChem:CID130418726
|
Local ready
Direct docking supported
|
|
E3L060606
BDB060606
|
BDBM50561816
NCC[C@@H]1CCCN1C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C16H25N7O3 363.422000 |
VXDZQEMICWJXQW-UOYPZJKHSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561816; PubChem:CID130418728
|
Local ready
Direct docking supported
|
|
E3L060607
BDB060607
|
BDBM50561817
Nc1ncnc2c1ccn2[C@@H]1O[C@H](CN2CCCC23CCNCC3)[C@@H](O)[C@H]1O
|
C19H28N6O3 388.472000 |
RERIOYBALRXMSF-ATNYBXOESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561817; PubChem:CID130418846
|
Local ready
Direct docking supported
|
|
E3L060608
BDB060608
|
BDBM50561818
CN1CCC2(CCCN2C[C@H]2O[C@@H](n3ccc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1
|
C20H30N6O3 402.499000 |
UJBWICUCTXANPU-YKTARERQSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561818; PubChem:CID130418842
|
Local ready
Direct docking supported
|
|
E3L060609
BDB060609
|
BDBM50561819
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC23CCCCC3)[C@@H](O)[C@H]1O
|
C19H28N6O3 388.472000 |
LZAGHJBHYHTZRO-SCFUHWHPSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561819; PubChem:CID159498007
|
Local ready
Direct docking supported
|
|
E3L060610
BDB060610
|
BDBM50561820
CC(=O)N1CCC2(CCCN2C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1
|
C20H29N7O4 431.497000 |
KZWWNCAMMMRVKV-NVQRDWNXSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561820; PubChem:CID162666645
|
Local ready
Direct docking supported
|
|
E3L060611
BDB060611
|
BDBM50561821
C=CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1
|
C25H20N6O3 452.474000 |
WQVPGYMGERDXLH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50561821; PubChem:CID131704492
|
Local ready
Direct docking supported
|
|
E3L060612
BDB060612
|
BDBM50561822
C=CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)cc1
|
C25H20N6O3 452.474000 |
NUDCZAJYSINQGK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50561822; PubChem:CID134543945
|
Local ready
Direct docking supported
|
|
E3L060613
BDB060613
|
BDBM50561823
C=CC(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)cc1
|
C25H20N6O3 452.474000 |
KAPDFZAZMGIWJL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50561823; PubChem:CID134557525
|
Local ready
Direct docking supported
|
|
E3L060614
BDB060614
|
BDBM50561824
C=CC(=O)Nc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)c1
|
C25H20N6O3 452.474000 |
VRAULDQNWSWIBM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50561824; PubChem:CID134557640
|
Local ready
Direct docking supported
|
|
E3L060615
BDB060615
|
BDBM50561825
CCC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1
|
C25H22N6O3 454.490000 |
KJOGTHYNDRIEQN-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50561825; PubChem:CID134557673
|
Local ready
Direct docking supported
|
|
E3L060616
BDB060616
|
BDBM50561826
CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1
|
C28H27N7O3 509.570000 |
OBHILHVVZQGWIU-BJMVGYQFSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50561826; PubChem:CID134557526
|
Local ready
Direct docking supported
|
|
E3L060617
BDB060617
|
BDBM50561827
CC1NC(=O)NC1CCCCCC(=O)NCCOCCOCCOCCNC(=O)CCN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1
|
C48H63N11O9 938.100000 |
BOFXGQMFHWAYOV-OVCLIPMQSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50561827
|
Local ready
Direct docking supported
|
|
E3L060618
BDB060618
|
BDBM50562002
C[C@@H]1COCCN1c1nc(-c2nc(N)ns2)nc2c1C[C@@H]1COCCN21
|
C16H21N7O2S 375.458000 |
IEQDPVIZBYEBGM-NXEZZACHSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50562002; PubChem:CID162674006
|
Local ready
Direct docking supported
|
|
E3L060619
BDB060619
|
BDBM50562003
C[C@@H]1COCCN1c1nc(-c2ccc(N)nn2)nc2c1C[C@@H]1COCCN21
|
C18H23N7O2 369.429000 |
WZDNUCMFYNAXQT-VXGBXAGGSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50562003; PubChem:CID162669113
|
Local ready
Direct docking supported
|
|
E3L060620
BDB060620
|
BDBM50562004
C[C@@H]1COCCN1c1nc(-c2nnc(N)s2)nc2c1C[C@@H]1COCCN21
|
C16H21N7O2S 375.458000 |
WZAQTKRFGGBJAQ-NXEZZACHSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50562004; PubChem:CID162652947
|
Local ready
Direct docking supported
|