| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012481
BDB012481
|
BDBM271378
O=C1Nc2nc3ccccc3n2C[C@H](O)[C@H]2CCCN(C2)c2ccc(=O)n(n2)Cc2cccc1c2
|
C26H26N6O3 470.533000 |
MEDMHQINGWSSFJ-UGKGYDQZSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271378; PubChem:CID136213965
|
Local ready
Direct docking supported
|
|
E3L012482
BDB012482
|
BDBM271379
COc1ccc2c(c1)nc1n2CCn2cc(cn2)-c2ccc(=O)n(n2)Cc2cccc(c2)C(=O)N1
|
C25H21N7O3 467.489000 |
BCWOQAIKLLZJQT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271379; PubChem:CID136213966
|
Local ready
Direct docking supported
|
|
E3L012483
BDB012483
|
BDBM271380
O=C1Nc2nc3ccccc3n2C/C=C\COc2ccc(=O)n(n2)Cc2cccc1c2
|
C23H19N5O3 413.437000 |
LMSBXQQGNBHVJH-ARJAWSKDSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271380; PubChem:CID136213967
|
Local ready
Direct docking supported
|
|
E3L012484
BDB012484
|
BDBM271381
COc1ccc2c(c1)nc1n2CC(O)CCOc2ccc(=O)n(n2)Cc2cccc(c2)C(=O)N1
|
C24H23N5O5 461.478000 |
IIBCKEBGNXPPOU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271381; PubChem:CID136213968
|
Local ready
Direct docking supported
|
|
E3L012485
BDB012485
|
BDBM271382
CC[C@H]1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2
|
C28H23N5O2 461.525000 |
ZXIQKJFCBRETLU-DEOSSOPVSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271382; PubChem:CID136213969
|
Local ready
Direct docking supported
|
|
E3L012486
BDB012486
|
BDBM271383
CC[C@@H]1c2cccc(c2)C(=O)Nc2nc3ccccc3n2Cc2cccc(c2)-c2ccc(=O)n1n2
|
C28H23N5O2 461.525000 |
ZXIQKJFCBRETLU-XMMPIXPASA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271383; PubChem:CID136213970
|
Local ready
Direct docking supported
|
|
E3L012487
BDB012487
|
BDBM271384
COc1ccc2cc1CCn1c(nc3ccccc31)NC(=O)c1cccc(c1)Cn1nc-2ccc1=O
|
C28H23N5O3 477.524000 |
QLXXVUUCHFEUGG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271384; PubChem:CID136213971
|
Local ready
Direct docking supported
|
|
E3L012488
BDB012488
|
BDBM271385
O=C1Nc2nc3ccccc3n2CCc2cc(ccc2O)-c2ccc(=O)n(n2)Cc2cccc1c2
|
C27H21N5O3 463.497000 |
FFBJVDYYHMCFMC-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM271385; PubChem:CID136213972
|
Local ready
Direct docking supported
|
|
E3L012489
BDB012489
|
US9550796, Example 2
COCn1cc(C)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnn(C)c3n1)C2=O
|
C22H21ClN6O2 436.903000 |
ZLVIFBCNFIAMBN-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274209; PubChem:CID122553494
|
Local ready
Direct docking supported
|
|
E3L012490
BDB012490
|
US9550796, Example 3
Cc1c[nH]c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)C2c1ccc(Cl)cc1
|
C21H18ClN5O 391.862000 |
JMENTVKUBOUMCJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274210; PubChem:CID122553387
|
Local ready
Direct docking supported
|
|
E3L012491
BDB012491
|
US9550796, Example 5
Cc1cn(C2CN(C)C2)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)C2c1ccc(Cl)cc1
|
C25H25ClN6O 460.969000 |
DVICYEUYFBDIJO-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274211; PubChem:CID122553461
|
Local ready
Direct docking supported
|
|
E3L012492
BDB012492
|
US9550796, Example 6
Cc1cn(C2COC2)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)C2c1ccc(Cl)cc1
|
C24H22ClN5O2 447.926000 |
PKHUSSXCMLLVRI-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274212; PubChem:CID122553452
|
Local ready
Direct docking supported
|
|
E3L012493
BDB012493
|
US9550796, Example 7
CC(=O)N1CC(n2cc(C)c3c2C(c2ccc(Cl)cc2)N(c2cc(C)c4nnc(C)n4c2)C3=O)C1
|
C26H25ClN6O2 488.979000 |
SVEGTFMYOXJKMY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274213; PubChem:CID122553401
|
Local ready
Direct docking supported
|
|
E3L012494
BDB012494
|
US9550796, Example 8
CCOC(=O)N1CC(n2cc(C)c3c2C(c2ccc(Cl)cc2)N(c2cc(C)c4nnc(C)n4c2)C3=O)C1
|
C27H27ClN6O3 519.005000 |
WEHPZXXDBNJUIG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274214; PubChem:CID118095238
|
Local ready
Direct docking supported
|
|
E3L012495
BDB012495
|
US9550796, Example 9
CNC(=O)n1cc(C)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O
|
C23H21ClN6O2 448.914000 |
NRKGWEXMFVBBBE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274215; PubChem:CID118095284
|
Local ready
Direct docking supported
|
|
E3L012496
BDB012496
|
US9550796, Example 10
Cc1cn(C(=O)N(C)C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)C2c1ccc(Cl)cc1
|
C24H23ClN6O2 462.941000 |
QXTHZAMLLIIJHM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274216; PubChem:CID118095249
|
Local ready
Direct docking supported
|
|
E3L012497
BDB012497
|
US9550796, Example 11
CCOC(=O)n1cc(C)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O
|
C24H22ClN5O3 463.925000 |
JVTTVFOTQZIFEV-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274217; PubChem:CID118095200
|
Local ready
Direct docking supported
|
|
E3L012498
BDB012498
|
US9550796, Example 12
COCC(=O)N1CC(n2cc(C)c3c2C(c2ccc(Cl)cc2)N(c2cc(C)c4nnc(C)n4c2)C3=O)C1
|
C27H27ClN6O3 519.005000 |
HMXDNEFPCAGWPH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274218; PubChem:CID122553426
|
Local ready
Direct docking supported
|
|
E3L012499
BDB012499
|
US9550796, Example 13
COCCn1cc(C)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O
|
C24H24ClN5O2 449.942000 |
LFNLJQQQSRYUHQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274219; PubChem:CID122553496
|
Local ready
Direct docking supported
|
|
E3L012500
BDB012500
|
US9550796, Example 14
Cc1cn(CCO)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)C2c1ccc(Cl)cc1
|
C23H22ClN5O2 435.915000 |
SXBROIQUJXJPJP-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM274220; PubChem:CID122553456
|
Local ready
Direct docking supported
|