| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057921
BDB057921
|
BDBM50498892
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(C)C)cc12
|
C38H40N2O3 572.749000 |
QJJCBPOUUSUGAD-BHVANESWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50498892; PubChem:CID53389244
|
Local ready
Direct docking supported
|
|
E3L057922
BDB057922
|
BDBM50498893
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3cccc(C(C)C)c3)cc12
|
C35H34N2O3 530.668000 |
LQAUHHSQKCNYRO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50498893; PubChem:CID53481931
|
Local ready
Direct docking supported
|
|
E3L057923
BDB057923
|
BDBM50498894
CCCC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1cccc(C(C)C)c1
|
C39H42N2O3 586.776000 |
RDCMWNANKKFTAL-BHVANESWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50498894; PubChem:CID53389234
|
Local ready
Direct docking supported
|
|
E3L057924
BDB057924
|
BDBM50498895
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12
|
C37H38N2O3 558.722000 |
NMFGWJBEPAMYHB-DEOSSOPVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50498895; PubChem:CID53389242
|
Local ready
Direct docking supported
|
|
E3L057925
BDB057925
|
BDBM50498896
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cc12
|
C34H29F3N2O3 570.611000 |
CZVKLWAQRUDGMY-NRFANRHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50498896; PubChem:CID53389239
|
Local ready
Direct docking supported
|
|
E3L057926
BDB057926
|
BDBM50498949
Cc1cc(-n2nc3ccccc3n2)cc(C)c1OC(C)(C)C(=O)O
|
C18H19N3O3 325.368000 |
KDHUMJSOJREBAZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50498949; PubChem:CID11948655
|
Local ready
Direct docking supported
|
|
E3L057927
BDB057927
|
BDBM50499075
O=C(Cc1cccc(I)c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C28H24FIN4O3 610.427000 |
JSLHOUUNORIRKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499075; PubChem:CID118905298
|
Local ready
Direct docking supported
|
|
E3L057928
BDB057928
|
BDBM50499076
O=C(c1ccc(I)cc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C27H22FIN4O3 596.400000 |
QOCIPUHZHXLQMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499076; PubChem:CID118905796
|
Local ready
Direct docking supported
|
|
E3L057929
BDB057929
|
BDBM50499077
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1
|
C26H22FIN4O4S 632.455000 |
STHUDQAINQHKPE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499077; PubChem:CID127034751
|
Local ready
Direct docking supported
|
|
E3L057930
BDB057930
|
BDBM50499078
O=C(COc1ccc(I)cc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C28H24FIN4O4 626.426000 |
ZEDSVQCWRIGXII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499078; PubChem:CID127034750
|
Local ready
Direct docking supported
|
|
E3L057931
BDB057931
|
BDBM50499079
COc1ccc(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1I
|
C28H24FIN4O4 626.426000 |
JAMUUQKHUDQIOR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499079; PubChem:CID127035739
|
Local ready
Direct docking supported
|
|
E3L057932
BDB057932
|
BDBM50499080
O=C(c1cccc(I)c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C27H22FIN4O3 596.400000 |
BXSRLXZDPDFDTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499080; PubChem:CID118905549
|
Local ready
Direct docking supported
|
|
E3L057933
BDB057933
|
BDBM50499081
Cc1ccc(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1I
|
C28H24FIN4O3 610.427000 |
UEXLZKRRXDGMSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499081; PubChem:CID127035738
|
Local ready
Direct docking supported
|
|
E3L057934
BDB057934
|
BDBM50499104
CCc1cc2c(cc1-c1cnn(C3CCNCC3)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
|
C29H29N5O 463.585000 |
AGEWKUQZNAGGEC-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50499104; PubChem:CID127037083
|
Local ready
Direct docking supported
|
|
E3L057935
BDB057935
|
JH-VIII-157-02
CCc1cc2c(cc1-c1cnn(CC(=O)N(C)C)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
|
C28H27N5O2 465.557000 |
IDGNCVHQDDOPND-UHFFFAOYSA-N | P51617, Q9HC35 | ALK tyrosine kinase receptor, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50499105; PubChem:CID127037084
|
Local ready
Direct docking supported
|
|
E3L057936
BDB057936
|
BDBM50499126
CCc1cc2c(cc1-c1cnn(C3CCOCC3)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
|
C29H28N4O2 464.569000 |
ZOUKGWPEJXISGG-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50499126; PubChem:CID127036288
|
Local ready
Direct docking supported
|
|
E3L057937
BDB057937
|
BDBM50499194
O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1
|
C27H33N5O4 491.592000 |
QPKFIZDVDMZSPR-IQGASKDCSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50499194
|
Local ready
Direct docking supported
|
|
E3L057938
BDB057938
|
BDBM50499196
CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2-c1ccc(CCCO)cc1
|
C28H28N4O6 516.554000 |
RGJUJSDOHVLJHD-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50499196; PubChem:CID127034643
|
Local ready
Direct docking supported
|
|
E3L057939
BDB057939
|
BDBM50499197
O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1
|
C29H29F3N4O2 522.571000 |
DQEKCEBMQCYICP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50499197; PubChem:CID21899142
|
Local ready
Direct docking supported
|
|
E3L057940
BDB057940
|
Irak4-IN-16
O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1)c1cccc(C(F)(F)F)c1
|
C27H25F3N4O 478.518000 |
CLRGCYMGDBZQTB-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50499198; PubChem:CID10227557
|
Local ready
Direct docking supported
|