| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050161
BDB050161
|
BDBM50259570
CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1
|
C22H20N6O2 400.442000 |
WEQRXDXDFLBIDK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259570; PubChem:CID137656868
|
Local ready
Direct docking supported
|
|
E3L050162
BDB050162
|
BDBM50259571
CC[C@H](CO)/N=C/c1cccc(-c2cnc3ccc(N[C@H](CC)CO)nn23)c1
|
C21H27N5O2 381.480000 |
SZOYOCHRMSEEMG-HFRLZFEPSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50259571
|
Local ready
Direct docking supported
|
|
E3L050163
BDB050163
|
BDBM50259572
CC[C@H](CO)NC(=O)c1cccc(-c2cnc3ccc(N[C@H](CC)CO)nn23)c1
|
C21H27N5O3 397.479000 |
KCXBBJNHGRCSQQ-IAGOWNOFSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259572; PubChem:CID137650926
|
Local ready
Direct docking supported
|
|
E3L050164
BDB050164
|
BDBM50259573
CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1
|
C14H16N4OS 288.376000 |
OJYINLHOEHUFHI-NSHDSACASA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259573; PubChem:CID137658970
|
Local ready
Direct docking supported
|
|
E3L050165
BDB050165
|
BDBM50259587
CC[C@H](CO)NC(=O)c1cccc(-c2cnc3ccc(N[C@@H](CC)CO)nn23)c1
|
C21H27N5O3 397.479000 |
KCXBBJNHGRCSQQ-DLBZAZTESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259587; PubChem:CID137659239
|
Local ready
Direct docking supported
|
|
E3L050166
BDB050166
|
BDBM50259588
CC[C@@H](CO)NC(=O)c1cccc(-c2cnc3ccc(N[C@H](CC)CO)nn23)c1
|
C21H27N5O3 397.479000 |
KCXBBJNHGRCSQQ-SJORKVTESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259588; PubChem:CID137651538
|
Local ready
Direct docking supported
|
|
E3L050167
BDB050167
|
BDBM50259589
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(/C=N/O)c3)n2n1
|
C17H19N5O2 325.372000 |
FTGAOPZDJRWUTG-FRSZACSASA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259589; PubChem:CID137631656
|
Local ready
Direct docking supported
|
|
E3L050168
BDB050168
|
3-(1-Benzofuran-7-ylmethyl)piperidine-1-carboximidamide
N=C(N)N1CCCC(Cc2cccc3ccoc23)C1
|
C15H19N3O 257.337000 |
WTKJOCPPKQFOKK-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259890; PubChem:CID137649814
|
Local ready
Direct docking supported
|
|
E3L050169
BDB050169
|
3-(1-Benzofuran-4-ylmethyl)piperidine-1-carboximidamide
N=C(N)N1CCCC(Cc2cccc3occc23)C1
|
C15H19N3O 257.337000 |
ZLIBCFZIBCZWNW-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259891; PubChem:CID137656162
|
Local ready
Direct docking supported
|
|
E3L050170
BDB050170
|
BDBM50259892
N=C(N)N1CCCC(Cc2cccc3c2OCO3)C1
|
C14H19N3O2 261.325000 |
LRVQENWFPVOJJS-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259892; PubChem:CID137656935
|
Local ready
Direct docking supported
|
|
E3L050171
BDB050171
|
BDBM50259893
Nc1ncc2n1CC(Cc1cccc3occc13)CC2
|
C16H17N3O 267.332000 |
SUSOTJICMNGAGZ-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259893; PubChem:CID137651353
|
Local ready
Direct docking supported
|
|
E3L050172
BDB050172
|
BDBM50259894
Nc1ncc2n1CC(Cc1cccc3c1OCO3)CC2
|
C15H17N3O2 271.320000 |
GXMMFNNBTMLUSG-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259894; PubChem:CID137633377
|
Local ready
Direct docking supported
|
|
E3L050173
BDB050173
|
BDBM50259899
COc1ccc(F)c(CC2CCc3c(C(C)C)nc(N)n3C2)c1
|
C18H24FN3O 317.408000 |
XJHGXEWMRNPZQE-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259899; PubChem:CID137643933
|
Local ready
Direct docking supported
|
|
E3L050174
BDB050174
|
3-(3-Methoxybenzyl)piperidine
COc1cccc(CC2CCCNC2)c1
|
C13H19NO 205.301000 |
GQKSLDMVANTJRX-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259900; PubChem:CID17039514
|
Local ready
Direct docking supported
|
|
E3L050175
BDB050175
|
3-Benzylpiperidine
c1ccc(CC2CCCNC2)cc1
|
C12H17N 175.275000 |
BKDMXVREWXKZLB-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259901; PubChem:CID114551
|
Local ready
Direct docking supported
|
|
E3L050176
BDB050176
|
3-(2-Methoxy-benzyl)-piperidine
COc1ccccc1CC1CCCNC1
|
C13H19NO 205.301000 |
QUMLOVQFWVLNPX-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259902; PubChem:CID5005916
|
Local ready
Direct docking supported
|
|
E3L050177
BDB050177
|
3-((4-Methoxyphenyl)methyl)piperidine
COc1ccc(CC2CCCNC2)cc1
|
C13H19NO 205.301000 |
MEMNAZVIXVXAJS-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259903; PubChem:CID3818672
|
Local ready
Direct docking supported
|
|
E3L050178
BDB050178
|
3-(1-Benzofuran-7-ylmethyl)piperidine
c1cc(CC2CCCNC2)c2occc2c1
|
C14H17NO 215.296000 |
GPXIHTRIVNXBFR-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259904; PubChem:CID84784098
|
Local ready
Direct docking supported
|
|
E3L050179
BDB050179
|
3-(1-Benzofuran-4-ylmethyl)piperidine
c1cc(CC2CCCNC2)c2ccoc2c1
|
C14H17NO 215.296000 |
YVIPTKSKHKEASD-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259905; PubChem:CID84784100
|
Local ready
Direct docking supported
|
|
E3L050180
BDB050180
|
3-(1,3-Benzodioxol-4-ylmethyl)piperidine
c1cc(CC2CCCNC2)c2c(c1)OCO2
|
C13H17NO2 219.284000 |
IODPJMSGGWBSSR-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259906; PubChem:CID84786790
|
Local ready
Direct docking supported
|