| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046941
BDB046941
|
BDBM50154343
O=C1NC(=S)S/C1=C\c1ccc2ncsc2c1
|
C11H6N2OS3 278.383000 |
TWNKLQGDXMYCCB-WTKPLQERSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154343; PubChem:CID127031435
|
Local ready
Direct docking supported
|
|
E3L046942
BDB046942
|
BDBM50154344
O=C1NC(=S)S/C1=C\c1ccc2c(c1)CCO2
|
C12H9NO2S2 263.343000 |
DMARRXYRWLAEFB-POHAHGRESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154344; PubChem:CID47298428
|
Local ready
Direct docking supported
|
|
E3L046943
BDB046943
|
BDBM50154345
CC1C/C(=C\c2ccc3ncsc3c2)C(=O)O1
|
C13H11NO2S 245.303000 |
MTQKRKLSQROTRY-BJMVGYQFSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154345; PubChem:CID127030516
|
Local ready
Direct docking supported
|
|
E3L046944
BDB046944
|
3-(1,3-Benzodioxol-5-ylmethylene)dihydro-2(3H)-furanone
O=C1OCC/C1=C\c1ccc2c(c1)OCO2
|
C12H10O4 218.208000 |
UZLHPXPKYRQXJV-WEVVVXLNSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154346; PubChem:CID5930298
|
Local ready
Direct docking supported
|
|
E3L046945
BDB046945
|
BDBM50154347
O=C1OCC/C1=C\c1ccc2c(c1)OCCO2
|
C13H12O4 232.235000 |
AGAPXMAFESZJGN-JXMROGBWSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154347; PubChem:CID127030213
|
Local ready
Direct docking supported
|
|
E3L046946
BDB046946
|
(3E)-3-(1,3-benzothiazol-6-ylmethylidene)oxolan-2-one
O=C1OCC/C1=C\c1ccc2ncsc2c1
|
C12H9NO2S 231.276000 |
FMOOGIYSVBVFIT-WEVVVXLNSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154348; PubChem:CID127032014
|
Local ready
Direct docking supported
|
|
E3L046947
BDB046947
|
BDBM50154349
CC1C/C(=C\c2ccc3c(c2)CCO3)C(=O)O1
|
C14H14O3 230.263000 |
WBCONKPHYUGGFA-XYOKQWHBSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154349; PubChem:CID127030212
|
Local ready
Direct docking supported
|
|
E3L046948
BDB046948
|
BDBM50154350
O=C1OCC/C1=C\c1ccc2c(c1)CCO2
|
C13H12O3 216.236000 |
UKFPGYWBGLNLOJ-DHZHZOJOSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154350; PubChem:CID127032324
|
Local ready
Direct docking supported
|
|
E3L046949
BDB046949
|
BDBM50154351
COc1ccc(/C=C2/SC(=S)NC2=O)cc1
|
C11H9NO2S2 251.332000 |
ORGCJYCWFZQEFX-RMKNXTFCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154351; PubChem:CID1241605
|
Local ready
Direct docking supported
|
|
E3L046950
BDB046950
|
BDBM50154352
COc1ccc(/C=C2\NC(=O)SC2=O)cc1
|
C11H9NO3S 235.264000 |
HGZJFYKLDIBVKD-TWGQIWQCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154352; PubChem:CID19079253
|
Local ready
Direct docking supported
|
|
E3L046951
BDB046951
|
3-(4-Methoxybenzylidene)tetrahydro-2H-pyran-2-one
COc1ccc(/C=C2\CCCOC2=O)cc1
|
C13H14O3 218.252000 |
TZQCWGJVIDIVCF-PKNBQFBNSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154353; PubChem:CID1237489
|
Local ready
Direct docking supported
|
|
E3L046952
BDB046952
|
BDBM50154354
O=C1OCC/C1=C\c1ccc2c(c1)CCCO2
|
C14H14O3 230.263000 |
JZCVQLIASALOPP-FMIVXFBMSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154354; PubChem:CID127031750
|
Local ready
Direct docking supported
|
|
E3L046953
BDB046953
|
3-(4-Methoxy-benzylidene)-dihydro-furan-2-one
COc1ccc(/C=C2\CCOC2=O)cc1
|
C12H12O3 204.225000 |
MBSKMEQHKIKWQZ-CSKARUKUSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50154355; PubChem:CID762415
|
Local ready
Direct docking supported
|
|
E3L046954
BDB046954
|
BDBM50154719
N=C(NO)C1c2cccc3c2N(CCNC3=O)C1c1ccc(F)cc1
|
C18H17FN4O2 340.358000 |
DNFYHIZELWDCHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154719; PubChem:CID44396942
|
Local ready
Direct docking supported
|
|
E3L046955
BDB046955
|
BDBM50154720
CC(=O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2
|
C19H15FN2O2 322.339000 |
YBSWEUVGLZUJGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154720; PubChem:CID11336230
|
Local ready
Direct docking supported
|
|
E3L046956
BDB046956
|
BDBM50154721
CO/N=C\c1cn2c3c(cccc13)C(=O)NCC2
|
C13H13N3O2 243.266000 |
MPYDWEZEBNJFME-CHHVJCJISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154721; PubChem:CID11436466
|
Local ready
Direct docking supported
|
|
E3L046957
BDB046957
|
BDBM50154722
Cc1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2
|
C18H15FN2O 294.329000 |
UMSIWKZKVTVJRC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154722; PubChem:CID11289389
|
Local ready
Direct docking supported
|
|
E3L046958
BDB046958
|
BDBM50154723
O=C1NCCn2c(-c3ccc(F)cc3)cc3cccc1c32
|
C17H13FN2O 280.302000 |
FQCNOPCDKFEXFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154723; PubChem:CID9795692
|
Local ready
Direct docking supported
|
|
E3L046959
BDB046959
|
BDBM50154724
O=NC(c1ccccc1)c1cn2c3c(cccc13)C(=O)NCC2
|
C18H15N3O2 305.337000 |
FHEORTAUGMDACE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154724; PubChem:CID91302937
|
Local ready
Direct docking supported
|
|
E3L046960
BDB046960
|
BDBM50154725
O=C1NCCn2c(-c3ccccn3)cc3cccc1c32
|
C16H13N3O 263.300000 |
ZGCVQPVWWBIGLU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154725; PubChem:CID11448426
|
Local ready
Direct docking supported
|