| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014081
BDB014081
|
BDBM318041
CN1CCCc2c1nc(N1CCN(Cc3cnccn3)CC1)[nH]c2=O
|
C17H23N7O 341.419000 |
PRPXVBJXNFAFSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318041; PubChem:CID136987046
|
Local ready
Direct docking supported
|
|
E3L014082
BDB014082
|
BDBM318042
CN1CCCc2c1nc(N1CCN(Cc3nccnc3Cl)CC1)[nH]c2=O
|
C17H22ClN7O 375.864000 |
SMUYIABTVDLDHO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318042; PubChem:CID136987038
|
Local ready
Direct docking supported
|
|
E3L014083
BDB014083
|
BDBM318043
Cc1nccnc1CN1CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
|
C18H25N7O 355.446000 |
WLVFPFBPOHXOMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318043; PubChem:CID136987037
|
Local ready
Direct docking supported
|
|
E3L014084
BDB014084
|
BDBM318044
CN1CCCc2c1nc(N1CCN(Cc3ncc(F)cc3F)CC1)[nH]c2=O
|
C18H22F2N6O 376.411000 |
YDGPFYFZYCIASD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM318044; PubChem:CID136954083
|
Local ready
Direct docking supported
|
|
E3L014085
BDB014085
|
BDBM318823
Cn1cc2c(n1)C(=O)NCCCOc1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C20H20N6O4 408.418000 |
GKSLYGBWVIREPH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318823; PubChem:CID122447249
|
Local ready
Direct docking supported
|
|
E3L014086
BDB014086
|
BDBM318825
Cn1cc2c(n1)C(=O)NCCn1cc(cn1)-c1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C22H20N8O3 444.455000 |
WGAIHKWWBXYAKM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318825; PubChem:CID122470005
|
Local ready
Direct docking supported
|
|
E3L014087
BDB014087
|
BDBM318826
Cn1cc2c(n1)C(=O)NCc1cncc(c1)-c1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C23H19N7O3 441.451000 |
OWGPCYDHMUISML-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318826; PubChem:CID122470030
|
Local ready
Direct docking supported
|
|
E3L014088
BDB014088
|
BDBM318827
Cn1cc2c(n1)C(=O)NCCOc1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C19H18N6O4 394.391000 |
ATLIZTAFGKXPLE-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318827; PubChem:CID122470006
|
Local ready
Direct docking supported
|
|
E3L014089
BDB014089
|
BDBM318828
Cn1cc2c(n1)C(=O)NCCCCOc1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C21H22N6O4 422.445000 |
XHWNTEWYWFMZBL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318828; PubChem:CID122447240
|
Local ready
Direct docking supported
|
|
E3L014090
BDB014090
|
BDBM318829
O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCOc2ccc(=O)n(n2)Cc2cccc1c2
|
C24H26N6O5 478.509000 |
WJPDPEBXKRAWLO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318829; PubChem:CID122470008
|
Local ready
Direct docking supported
|
|
E3L014091
BDB014091
|
BDBM318830
CC(C)(C)n1cc2c(n1)C(=O)NCCCOc1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C23H26N6O4 450.499000 |
XMDZLJRPNPTNNM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318830; PubChem:CID122470039
|
Local ready
Direct docking supported
|
|
E3L014092
BDB014092
|
BDBM318831
Cn1cc2c(n1)C(=O)NCCCOc1ccc(=O)n(n1)Cc1cccc(n1)C(=O)N2
|
C19H19N7O4 409.406000 |
JTDOHCWXAJEHMM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318831; PubChem:CID122447275
|
Local ready
Direct docking supported
|
|
E3L014093
BDB014093
|
BDBM318832
O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCOc2ccc(=O)n(n2)Cc2cccc1n2
|
C23H25N7O5 479.497000 |
VWMDHJMEUZNQNF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318832; PubChem:CID122471471
|
Local ready
Direct docking supported
|
|
E3L014094
BDB014094
|
BDBM318833
CC(C)(C)n1cc2c(n1)C(=O)NCCCOc1ccc(=O)n(n1)Cc1cccc(n1)C(=O)N2
|
C22H25N7O4 451.487000 |
AHFFIIHDSQMDME-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318833; PubChem:CID122470054
|
Local ready
Direct docking supported
|
|
E3L014095
BDB014095
|
BDBM318834
O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCC(O)COc2ccc(=O)n(n2)Cc2cccc1c2
|
C24H26N6O6 494.508000 |
KNCBISXOBZEGTD-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318834; PubChem:CID122470007
|
Local ready
Direct docking supported
|
|
E3L014096
BDB014096
|
BDBM318835
Cn1cc2c(n1)C(=O)NCC(O)COc1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C20H20N6O5 424.417000 |
FNRWLDQIJWSZPQ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318835; PubChem:CID122470009
|
Local ready
Direct docking supported
|
|
E3L014097
BDB014097
|
BDBM318836
Cn1cc2c(n1)C(=O)NCc1cc(ccn1)-c1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C23H19N7O3 441.451000 |
ZGPAYCQEDZYSFA-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318836; PubChem:CID122470010
|
Local ready
Direct docking supported
|
|
E3L014098
BDB014098
|
BDBM318837
Cn1cc2c(n1)C(=O)NCCc1cccc(c1)-c1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C25H22N6O3 454.490000 |
ZZPZTQIZEUBASL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318837; PubChem:CID122470003
|
Local ready
Direct docking supported
|
|
E3L014099
BDB014099
|
BDBM318838
Cc1cc2n(n1)CCc1cccc(c1)-c1ccc(=O)n(n1)Cc1cccc(c1)C(=O)N2
|
C24H21N5O2 411.465000 |
SANOXDVEBDNEDL-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM318838; PubChem:CID137138406
|
Local ready
Direct docking supported
|
|
E3L014100
BDB014100
|
BDBM318839
CNC1=C(C(=N)C2CC2)C(=O)N(c2cc(C)c3nnc(C)n3c2)C1c1ccc(Cl)cc1
|
C23H23ClN6O 434.931000 |
KVTLTFKBEFZOGC-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM318839
|
Local ready
Direct docking supported
|