| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045681
BDB045681
|
BDBM50096792
CN1CCN(C(=O)C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc4[nH]c(=O)cc(O)c4c3)c(Cl)[nH]2)CC1
|
C30H28Cl2N10O4 663.526000 |
NBMJTOOHXJGJNZ-RJOTYRNVSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50096792
|
Local ready
Direct docking supported
|
|
E3L045682
BDB045682
|
(+)-Alantolactone
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12
|
C15H20O2 232.323000 |
PXOYOCNNSUAQNS-AGNJHWRGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50096873; PubChem:CID72724
|
Local ready
Direct docking supported
|
|
E3L045683
BDB045683
|
BDBM50097128
CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc(C3CC3)[nH]n2)n1
|
C20H21ClN8 408.897000 |
LXAVLHJMLKIDME-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50097128; PubChem:CID122178561
|
Local ready
Direct docking supported
|
|
E3L045684
BDB045684
|
BDBM50097413
COc1cccc(F)c1C1=NCc2cnc(Nc3ccc(C(=O)O)cc3)nc2-c2ccc(Cl)cc21
|
C26H18ClFN4O3 488.906000 |
UQXPONWWSBAXMI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50097413; PubChem:CID11526006
|
Local ready
Direct docking supported
|
|
E3L045685
BDB045685
|
BDBM50097414
O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2ccccc2F)=NC3)cc1
|
C25H16ClFN4O2 458.880000 |
USEFICSVVKKZGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50097414; PubChem:CID11655501
|
Local ready
Direct docking supported
|
|
E3L045686
BDB045686
|
BDBM50097418
Nc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2
|
C18H12ClFN4 338.773000 |
FBRAIVNJLBZIIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50097418; PubChem:CID9862708
|
Local ready
Direct docking supported
|
|
E3L045687
BDB045687
|
BDBM50097854
COc1ccc2c(c1)nc(C(=O)O)c1c3cccc(Cl)c3[nH]c21
|
C17H11ClN2O3 326.739000 |
WXMYTQDKBPDSSR-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097854; PubChem:CID122181017
|
Local ready
Direct docking supported
|
|
E3L045688
BDB045688
|
BDBM50097855
COc1ccc2c(c1)nc(C(=O)O)c1c3cccc(Br)c3[nH]c21
|
C17H11BrN2O3 371.190000 |
ARYGGCNDASPYNG-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097855; PubChem:CID122181018
|
Local ready
Direct docking supported
|
|
E3L045689
BDB045689
|
BDBM50097856
COc1ccc2c(c1)nc(C(=O)O)c1c3cccc(I)c3[nH]c21
|
C17H11IN2O3 418.190000 |
NNSGCMOBDRALMM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097856; PubChem:CID122181019
|
Local ready
Direct docking supported
|
|
E3L045690
BDB045690
|
BDBM50097858
CCOc1ccc2c(c1)nc(C(=O)O)c1c3cccc(Cl)c3[nH]c21
|
C18H13ClN2O3 340.766000 |
GZABGNNMQYCDLS-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097858; PubChem:CID122181021
|
Local ready
Direct docking supported
|
|
E3L045691
BDB045691
|
BDBM50097859
O=C(O)c1nc2ccc(I)cc2c2[nH]c3c(F)cccc3c12
|
C16H8FIN2O2 406.154000 |
REHULOMJRMEOTO-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097859; PubChem:CID122181022
|
Local ready
Direct docking supported
|
|
E3L045692
BDB045692
|
BDBM50097860
O=C(O)c1nc2ccc(I)cc2c2[nH]c3c(Cl)cccc3c12
|
C16H8ClIN2O2 422.609000 |
WGBRJADREQKUMW-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097860; PubChem:CID91664022
|
Local ready
Direct docking supported
|
|
E3L045693
BDB045693
|
BDBM50097861
O=C(O)c1nc2ccc(I)cc2c2[nH]c3c(Br)cccc3c12
|
C16H8BrIN2O2 467.060000 |
WYQPGNJIFZHADC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097861; PubChem:CID91664023
|
Local ready
Direct docking supported
|
|
E3L045694
BDB045694
|
BDBM50097863
COc1cccc(-c2ccc3nc(C(=O)O)c4c5cccc(Cl)c5[nH]c4c3c2)c1
|
C23H15ClN2O3 402.837000 |
VCFPJHJKTXRDGD-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097863; PubChem:CID122181024
|
Local ready
Direct docking supported
|
|
E3L045695
BDB045695
|
BDBM50097866
O=C(O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12
|
C15H8BrN3O2 342.152000 |
MUVCSDSMBYPVGX-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097866; PubChem:CID122181097
|
Local ready
Direct docking supported
|
|
E3L045696
BDB045696
|
10-chloro-11H-indolo[3,2-c]quinoline-6-carboxylic acid
O=C(O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
|
C16H9ClN2O2 296.713000 |
ABRIIMZXUFHPCH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097867; PubChem:CID122181013
|
Local ready
Direct docking supported
|
|
E3L045697
BDB045697
|
10-bromo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
O=C(O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
|
C16H9BrN2O2 341.164000 |
PCUWPDUAQBAWHT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097868; PubChem:CID122181014
|
Local ready
Direct docking supported
|
|
E3L045698
BDB045698
|
10-Iodo-11h-Indolo[3,2-C]quinoline-6-Carboxylic Acid
O=C(O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
|
C16H9IN2O2 388.164000 |
SDRAETFVRBBLOB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097869; PubChem:CID91664021
|
Local ready
Direct docking supported
|
|
E3L045699
BDB045699
|
BDBM50097870
COc1ccc2c(c1)nc(C(=O)O)c1c3cccc(F)c3[nH]c21
|
C17H11FN2O3 310.284000 |
UWOGNCRXEQLSQQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50097870; PubChem:CID122181016
|
Local ready
Direct docking supported
|
|
E3L045700
BDB045700
|
BDBM50098047
COc1ccc2[nH]c(SCC(=O)Nc3ccccc3Cl)nc2c1
|
C16H14ClN3O2S 347.827000 |
TZKXQUHVSPBVAK-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50098047; PubChem:CID708867
|
Local ready
Direct docking supported
|