| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055641
BDB055641
|
BDBM50426318
COC(=O)c1ccc2[nH]c(C3C(=O)N(C)c4c(Br)cccc43)c(N=O)c2c1
|
C19H14BrN3O4 428.242000 |
XMEYZZHYTYIPQK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426318; PubChem:CID91900276
|
Local ready
Direct docking supported
|
|
E3L055642
BDB055642
|
BDBM50426319
O=Nc1c(C2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2ccc(-c3nnn[nH]3)cc12
|
C18H10F3N7O2 413.319000 |
IXRJKNXPONACSK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426319; PubChem:CID91900277
|
Local ready
Direct docking supported
|
|
E3L055643
BDB055643
|
BDBM50426320
N#Cc1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1
|
C18H9F3N4O2 370.290000 |
OEJBSXZKESRAAA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426320; PubChem:CID91900278
|
Local ready
Direct docking supported
|
|
E3L055644
BDB055644
|
BDBM50426321
COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1
|
C19H12F3N3O4 403.316000 |
QNOWIQIPRISMTP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426321; PubChem:CID91900279
|
Local ready
Direct docking supported
|
|
E3L055645
BDB055645
|
BDBM50426322
COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c(Br)cccc43)c(N=O)c2c1
|
C18H12BrN3O4 414.215000 |
PZBIEAMWQJHGEF-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426322; PubChem:CID91900280
|
Local ready
Direct docking supported
|
|
E3L055646
BDB055646
|
BDBM50426324
O=Nc1c(C2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2ccccc12
|
C17H10F3N3O2 345.280000 |
AZHYRBUJKNGBKI-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426324; PubChem:CID91900281
|
Local ready
Direct docking supported
|
|
E3L055647
BDB055647
|
BDBM50426325
O=C1Nc2c(Br)cccc2/C1=C1/Nc2ccc(CO)cc2C1=O
|
C17H11BrN2O3 371.190000 |
VUVJAZSCCQYIRV-SQFISAMPSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426325
|
Local ready
Direct docking supported
|
|
E3L055648
BDB055648
|
BDBM50426326
O=C1Nc2c(cccc2C(F)(F)F)/C1=C1/Nc2cc(C(=O)O)ccc2C1=O
|
C18H9F3N2O4 374.274000 |
TWSHBECDMINHSW-OWBHPGMISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426326
|
Local ready
Direct docking supported
|
|
E3L055649
BDB055649
|
BDBM50426327
COC(=O)c1ccc2c(c1)N/C(=C1\C(=O)Nc3c1cccc3C(F)(F)F)C2=O
|
C19H11F3N2O4 388.301000 |
QORLNLSUQZXAHB-SQFISAMPSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426327
|
Local ready
Direct docking supported
|
|
E3L055650
BDB055650
|
BDBM50426328
COC(=O)c1ccc2c(c1)N/C(=C1\C(=O)Nc3c(Br)cccc31)C2=O
|
C18H11BrN2O4 399.200000 |
YRAMCSAMVNTKEC-SQFISAMPSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426328
|
Local ready
Direct docking supported
|
|
E3L055651
BDB055651
|
BDBM50426329
COC(=O)c1ccc2c(c1)C(=O)/C(=C1/C(=O)N(C)c3c(Br)cccc31)N2
|
C19H13BrN2O4 413.227000 |
YXZIKYMEBDIJEX-PFONDFGASA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426329
|
Local ready
Direct docking supported
|
|
E3L055652
BDB055652
|
BDBM50426330
O=C1Nc2ccccc2/C1=C1/Nc2cc(C(=O)O)ccc2C1=O
|
C17H10N2O4 306.277000 |
LNVAEYFLLJIDOZ-YPKPFQOOSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426330
|
Local ready
Direct docking supported
|
|
E3L055653
BDB055653
|
BDBM50426333
O=C1Nc2c(Br)cccc2/C1=C1/Nc2cc(C(=O)O)ccc2C1=O
|
C17H9BrN2O4 385.173000 |
VTECSBXIMQZMQA-OWBHPGMISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426333
|
Local ready
Direct docking supported
|
|
E3L055654
BDB055654
|
BDBM50426336
O=Nc1c(C2C(=O)Nc3ccccc32)[nH]c2ccc(C(=O)O)cc12
|
C17H11N3O4 321.292000 |
UCJUQIKMOSVOJR-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426336; PubChem:CID91900286
|
Local ready
Direct docking supported
|
|
E3L055655
BDB055655
|
BDBM50426337
O=Nc1c(C2C(=O)Nc3c(Br)cccc32)[nH]c2ccc(C(=O)O)cc12
|
C17H10BrN3O4 400.188000 |
ZVQKIVSQCORITQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426337; PubChem:CID91900287
|
Local ready
Direct docking supported
|
|
E3L055656
BDB055656
|
BDBM50426338
CN1C(=O)C(c2[nH]c3ccc(C(=O)O)cc3c2N=O)c2cccc(Br)c21
|
C18H12BrN3O4 414.215000 |
PVKHDYBJGIJIAB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426338; PubChem:CID91900288
|
Local ready
Direct docking supported
|
|
E3L055657
BDB055657
|
R-1530
COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(C)n[nH]c1N2
|
C18H14ClFN4O 356.788000 |
UOVCGJXDGOGOCZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50426474; PubChem:CID135398512
|
Local ready
Direct docking supported
|
|
E3L055658
BDB055658
|
BDBM50426478
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc([C@@](O)(C(N)=O)C(F)(F)F)s1
|
C19H18F7N3O4S2 549.490000 |
AQHKFYHHIIOAEO-BMLIUANNSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50426478; PubChem:CID49846481
|
Local ready
Direct docking supported
|
|
E3L055659
BDB055659
|
BDBM50426731
c1cc2c(ncc3ncn(C4CCCCC4)c32)[nH]1
|
C14H16N4 240.310000 |
VKHAJXJHGMVFFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50426731; PubChem:CID58395044
|
Local ready
Direct docking supported
|
|
E3L055660
BDB055660
|
1-cyclohexyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazine
c1cc2c(ncc3cnc(C4CCCCC4)n32)[nH]1
|
C14H16N4 240.310000 |
YWPZNZDBYDEVCY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50426732; PubChem:CID50906783
|
Local ready
Direct docking supported
|