| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063141
BDB063141
|
BDBM50612941
O=C(c1cnc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)nc1)N1CCNCC1
|
C20H17FN8OS 436.476000 |
CNOSJVZIGJFOCP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612941; PubChem:CID171348455
|
Local ready
Direct docking supported
|
|
E3L063142
BDB063142
|
BDBM50612942
CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)cn2)CC1
|
C23H22FN7OS 463.542000 |
HMGYLOLYDLXPBJ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612942; PubChem:CID171348816
|
Local ready
Direct docking supported
|
|
E3L063143
BDB063143
|
BDBM50612943
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)cn2)CC1
|
C26H26FN7O3S 535.605000 |
ADDUNHFSLAJRRT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612943; PubChem:CID171357810
|
Local ready
Direct docking supported
|
|
E3L063144
BDB063144
|
BDBM50612944
O=C(c1ccc(Nc2ncc(F)c(-c3ccc4scnc4c3)n2)cn1)N1CCNCC1
|
C21H18FN7OS 435.488000 |
ZFJBVEUELDGTAM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612944; PubChem:CID171345949
|
Local ready
Direct docking supported
|
|
E3L063145
BDB063145
|
BDBM50613084
COC1=CC2C(=O)NC3=Cc4ccc(OC)cc4C(=C1OC)C32
|
C18H17NO4 311.337000 |
CGRDYMCBGXJNLR-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613084; PubChem:CID171358519
|
Local ready
Direct docking supported
|
|
E3L063146
BDB063146
|
Gsk-626616
O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2nccnc2c1
|
C18H10Cl2N4OS 401.278000 |
RJPNRXFBYZVRIB-DHDCSXOGSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613085; PubChem:CID135416229
|
Local ready
Direct docking supported
|
|
E3L063147
BDB063147
|
Leucettinib-10
O=C1NC(NC2CCCCCC2)=N/C1=C\c1ccc2ncsc2c1
|
C18H20N4OS 340.452000 |
HJEKFRDOAYXXRU-DHDCSXOGSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613086; PubChem:CID162346674
|
Local ready
Direct docking supported
|
|
E3L063148
BDB063148
|
Leucettinib-92
O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N/C1=C\c1ccc2ncsc2c1
|
C21H22N4OS 378.501000 |
HEVBCYZPXGZFGS-FMQZQXMHSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613087; PubChem:CID162346766
|
Local ready
Direct docking supported
|
|
E3L063149
BDB063149
|
BDBM50613088
O=C1Nc2cc(S(=O)(=O)Cc3c(Cl)cccc3Cl)ccc2S/C1=C\c1ccc(O)c([N+](=O)[O-])c1
|
C22H14Cl2N2O6S2 537.402000 |
DOMBZVXKSRQDOJ-NKVSQWTQSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50613088
|
Local ready
Direct docking supported
|
|
E3L063150
BDB063150
|
BDBM50613089
Cc1cc(C(=O)NC2Nc3cccc(C)c3N2[C@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1
|
C27H36N6O2 476.625000 |
WFAOJPLNRNZXIN-LXARNSNTSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613089; PubChem:CID171344856
|
Local ready
Direct docking supported
|
|
E3L063151
BDB063151
|
1-Acetyl-Beta-Carboline
CC(=O)c1nccc2c1[nH]c1ccccc12
|
C13H10N2O 210.236000 |
NXZSUJKPVSDFNF-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613090; PubChem:CID638667
|
Local ready
Direct docking supported
|
|
E3L063152
BDB063152
|
DYRK2 inhibitor C17
COc1ccc2nc3c(CO)cc(OC)cc3c(SC[C@H]3CCNC3)c2c1
|
C21H24N2O3S 384.501000 |
PBGPFWACZLCJFH-ZDUSSCGKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613091; PubChem:CID157049314
|
Local ready
Direct docking supported
|
|
E3L063153
BDB063153
|
BDBM50613092
O=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1
|
C17H13N5OS 335.392000 |
CYVGSDYVNUNREA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613092; PubChem:CID155927403
|
Local ready
Direct docking supported
|
|
E3L063154
BDB063154
|
1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol
COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1
|
C16H14N2O4 298.298000 |
VVZNWYXIOADGSW-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613093; PubChem:CID791637
|
Local ready
Direct docking supported
|
|
E3L063155
BDB063155
|
Nni-351
CCOc1ccc2nc(N3CCCN(C(=S)Nc4ccccc4F)CC3)c(C#N)cc2c1
|
C24H24FN5OS 449.555000 |
RQXUPDSAFGWKMO-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613094; PubChem:CID16661882
|
Local ready
Direct docking supported
|
|
E3L063156
BDB063156
|
BDBM50613095
COc1ccc2sc(-c3cncc(NC(C)=O)c3)nc2c1
|
C15H13N3O2S 299.355000 |
JLUXIHDOQQZMIZ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613095; PubChem:CID134434352
|
Local ready
Direct docking supported
|
|
E3L063157
BDB063157
|
Scorzodihydrostilbene A
COc1cc(CCc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(C)=O)ccc1O
|
C23H28O10 464.467000 |
YRCZOJOYJCLBDV-DODNOZFWSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613096; PubChem:CID42638802
|
Local ready
Direct docking supported
|
|
E3L063158
BDB063158
|
BDBM50613097
CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Cc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1
|
C29H31N5O2 481.600000 |
AOLMNCAPVYTEHC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50613097; PubChem:CID171350894
|
Local ready
Direct docking supported
|
|
E3L063159
BDB063159
|
BDBM50613098
CCN(CC)Cc1ccc(OC)c(-c2cc3c(-c4ccc(C(=O)O)c(C(C)C)c4)ccnc3[nH]2)c1
|
C29H33N3O3 471.601000 |
XKLPRHHLSQBUIC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50613098
|
Local ready
Direct docking supported
|
|
E3L063160
BDB063160
|
BDBM50613345
O=C(O)c1cc(F)cc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c1
|
C20H14F4N2O2 390.336000 |
UHJDOMZMXIOCJJ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50613345; PubChem:CID171358191
|
Local ready
Direct docking supported
|