| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062201
BDB062201
|
BDBM50594782
O=C1NC(Nc2ccccn2)=N/C1=C\c1ccc2c(c1)OCO2
|
C16H12N4O3 308.297000 |
QCTMVDQWYGRUJK-XFFZJAGNSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594782; PubChem:CID168295401
|
Local ready
Direct docking supported
|
|
E3L062202
BDB062202
|
BDBM50594783
O=C1NC(Nc2ccc(F)cc2)=N/C1=C\c1ccc2c(c1)OCO2
|
C17H12FN3O3 325.299000 |
ZQZULRTVXPNQNP-QPEQYQDCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594783; PubChem:CID168272336
|
Local ready
Direct docking supported
|
|
E3L062203
BDB062203
|
BDBM50594784
O=C1NC(Nc2cccc(F)c2)=N/C1=C\c1ccc2c(c1)OCO2
|
C17H12FN3O3 325.299000 |
KRXQWLCJHMDEDM-MLPAPPSSSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594784; PubChem:CID168286741
|
Local ready
Direct docking supported
|
|
E3L062204
BDB062204
|
BDBM50594785
O=C1NC(Nc2ccc(O)c(F)c2)=N/C1=C\c1ccc2c(c1)OCO2
|
C17H12FN3O4 341.298000 |
AKNIGLLNHUTMPO-XGICHPGQSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594785; PubChem:CID168276347
|
Local ready
Direct docking supported
|
|
E3L062205
BDB062205
|
BDBM50594786
Cc1ccc(NC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2)c(C)c1
|
C19H17N3O3 335.363000 |
OAKDCYWBXLUPQD-NVNXTCNLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594786; PubChem:CID168270865
|
Local ready
Direct docking supported
|
|
E3L062206
BDB062206
|
BDBM50594787
Cc1ccc(NC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2)cc1C
|
C19H17N3O3 335.363000 |
MWQLICNQHCLBLQ-NVNXTCNLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594787; PubChem:CID168269636
|
Local ready
Direct docking supported
|
|
E3L062207
BDB062207
|
BDBM50594788
Cc1ccc(C)c(NC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2)c1
|
C19H17N3O3 335.363000 |
KAEULNCNLILYLK-NVNXTCNLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594788; PubChem:CID168271258
|
Local ready
Direct docking supported
|
|
E3L062208
BDB062208
|
BDBM50594789
O=C1NC(Nc2ccc(N3CCCCC3)cc2)=N/C1=C\c1ccc2c(c1)OCO2
|
C22H22N4O3 390.443000 |
LZEXMGAAHJOEIB-PDGQHHTCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594789; PubChem:CID168284962
|
Local ready
Direct docking supported
|
|
E3L062209
BDB062209
|
BDBM50594790
COc1cc(/C=C2\N=C(Nc3ccc(N4CCN(C)CC4)cc3)NC2=O)ccc1O
|
C22H25N5O3 407.474000 |
HRVRSEHLJQHGFO-AQTBWJFISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594790; PubChem:CID168291324
|
Local ready
Direct docking supported
|
|
E3L062210
BDB062210
|
BDBM50594791
O=C1NC(N2CCC(N3CCCCC3)CC2)=N/C1=C\c1ccc2c(c1)OCO2
|
C21H26N4O3 382.464000 |
ZVYDNJFYIGFQFE-ATVHPVEESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594791; PubChem:CID168269653
|
Local ready
Direct docking supported
|
|
E3L062211
BDB062211
|
BDBM50594792
COc1cc(/C=C2\N=C(Nc3ccc(N4CCCCC4)cc3)NC2=O)ccc1O
|
C22H24N4O3 392.459000 |
RXBPHXFEWBJMNT-AQTBWJFISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594792; PubChem:CID168276357
|
Local ready
Direct docking supported
|
|
E3L062212
BDB062212
|
BDBM50594793
O=C1NC(Nc2ccc(N3CCNCC3)cc2)=N/C1=C\c1ccc2c(c1)OCO2
|
C21H21N5O3 391.431000 |
JBFOGRDEYAYPMV-BOPFTXTBSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594793; PubChem:CID168292520
|
Local ready
Direct docking supported
|
|
E3L062213
BDB062213
|
BDBM50594794
O=C1NC(Nc2ccc(N3CCNCC3)cc2)=N/C1=C\c1ccc2c(c1)OC=CO2
|
C22H21N5O3 403.442000 |
BBEJWIXOAHFCCE-AQTBWJFISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594794; PubChem:CID168274819
|
Local ready
Direct docking supported
|
|
E3L062214
BDB062214
|
BDBM50594795
COc1cc(/C=C2\N=C(Nc3ccc(N4CCNCC4)cc3)NC2=O)ccc1O
|
C21H23N5O3 393.447000 |
JMMKVTXEDIDGGS-ATVHPVEESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594795; PubChem:CID168297823
|
Local ready
Direct docking supported
|
|
E3L062215
BDB062215
|
BDBM50594796
CN1CCN(c2ccc(NC3=N/C(=C\c4ccc5c(c4)OCO5)C(=O)N3)cc2)CC1
|
C22H23N5O3 405.458000 |
JKXDWZBWZQHPCO-PDGQHHTCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594796; PubChem:CID168271301
|
Local ready
Direct docking supported
|
|
E3L062216
BDB062216
|
BDBM50594797
CN1CCN(c2ccc(NC3=N/C(=C\C4=COc5ccccc5O4)C(=O)N3)cc2)CC1
|
C23H23N5O3 417.469000 |
UJFIKRCFDAMOMY-RGEXLXHISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594797; PubChem:CID168289931
|
Local ready
Direct docking supported
|
|
E3L062217
BDB062217
|
BDBM50594798
O=C1NC(N2CCN(c3ccc(F)cc3)CC2)=N/C1=C\c1ccc2c(c1)OCCO2
|
C22H21FN4O3 408.433000 |
HLOKDFAILZNLKF-AQTBWJFISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594798; PubChem:CID168281871
|
Local ready
Direct docking supported
|
|
E3L062218
BDB062218
|
BDBM50594799
CSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1
|
C12H10N2O3S 262.290000 |
HFLXYSRIPKXGOQ-YWEYNIOJSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594799; PubChem:CID135787042
|
Local ready
Direct docking supported
|
|
E3L062219
BDB062219
|
BDBM50594800
CCCCCOc1ccc(NC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2)cc1
|
C22H23N3O4 393.443000 |
BNEMOONNXBNRSX-PDGQHHTCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594800; PubChem:CID168295800
|
Local ready
Direct docking supported
|
|
E3L062220
BDB062220
|
BDBM50594801
O=C1NC(Nc2ccc(Oc3ccccc3)cc2)=N/C1=C\c1ccc2c(c1)OCO2
|
C23H17N3O4 399.406000 |
AQUUIDMAVBHSKQ-UNOMPAQXSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594801; PubChem:CID168271016
|
Local ready
Direct docking supported
|