| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062221
BDB062221
|
BDBM50594802
O=C1NC(Nc2ccccc2)=N/C1=C\c1ccc2c(c1)OCCCO2
|
C19H17N3O3 335.363000 |
QUWLSDMWWFVXHR-PTNGSMBKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594802; PubChem:CID168280202
|
Local ready
Direct docking supported
|
|
E3L062222
BDB062222
|
BDBM50594803
COc1ccc(/C=C2\N=C(Nc3ccccc3)NC2=O)cc1
|
C17H15N3O2 293.326000 |
XSEOLUNNBOQVET-PTNGSMBKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594803; PubChem:CID135747162
|
Local ready
Direct docking supported
|
|
E3L062223
BDB062223
|
BDBM50594804
COc1ccc(/C=C2\N=C(Nc3ccccc3)NC2=O)cc1O
|
C17H15N3O3 309.325000 |
ZTRPXSAPSNQEEK-LCYFTJDESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594804; PubChem:CID168271838
|
Local ready
Direct docking supported
|
|
E3L062224
BDB062224
|
BDBM50594805
COc1cccc(/C=C2\N=C(Nc3ccccc3)NC2=O)c1
|
C17H15N3O2 293.326000 |
ZHRKMTLVKUCRFN-PTNGSMBKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594805; PubChem:CID168275876
|
Local ready
Direct docking supported
|
|
E3L062225
BDB062225
|
BDBM50594807
C/C(=C1/N=C(Nc2ccccc2)NC1=O)c1ccc2c(c1)OCO2
|
C18H15N3O3 321.336000 |
XEKHAAGMBNNNBX-WJDWOHSUSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594807; PubChem:CID168278697
|
Local ready
Direct docking supported
|
|
E3L062226
BDB062226
|
BDBM50594808
O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc2c(c1)OCO2
|
C17H12N2O3S 324.361000 |
YASSUQGNEXYLNC-DHDCSXOGSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594808; PubChem:CID135435834
|
Local ready
Direct docking supported
|
|
E3L062227
BDB062227
|
Preclathridine A
Cn1cc(Cc2ccc3c(c2)OCO3)nc1N
|
C12H13N3O2 231.255000 |
JRABMMXJICHILK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594809; PubChem:CID5324779
|
Local ready
Direct docking supported
|
|
E3L062228
BDB062228
|
BDBM50594810
CCCCCCc1ccc(NC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2)cc1
|
C23H25N3O3 391.471000 |
RBWVVJQRRKWYQA-UYRXBGFRSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594810; PubChem:CID168283289
|
Local ready
Direct docking supported
|
|
E3L062229
BDB062229
|
BDBM50594812
O=C1NC(Nc2ccc(-c3ccccc3)cc2)=N/C1=C\c1ccc2c(c1)OCO2
|
C23H17N3O3 383.407000 |
LHFZBEVYEKAPDN-UNOMPAQXSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50594812; PubChem:CID168276010
|
Local ready
Direct docking supported
|
|
E3L062230
BDB062230
|
BDBM50594893
COc1ccccc1NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1
|
C35H31FN6O5 634.668000 |
UDFQFCRUNLBZKM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594893; PubChem:CID168282343
|
Local ready
Direct docking supported
|
|
E3L062231
BDB062231
|
BDBM50594894
NC(=O)c1cccc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12
|
C19H19FN4O 338.386000 |
WKTMMORAVFTJMW-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594894; PubChem:CID146479479
|
Local ready
Direct docking supported
|
|
E3L062232
BDB062232
|
BDBM50594895
NC(=O)c1cccc2cn(-c3ccc([C@]4(F)CCCNC4)cc3)nc12
|
C19H19FN4O 338.386000 |
WKTMMORAVFTJMW-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594895; PubChem:CID146556835
|
Local ready
Direct docking supported
|
|
E3L062233
BDB062233
|
BDBM50594896
CC(C)(C)CC(=O)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C27H33FN4O4 496.583000 |
UDVUZHWNFFVLLQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594896; PubChem:CID72201273
|
Local ready
Direct docking supported
|
|
E3L062234
BDB062234
|
BDBM50594897
C[C@H]1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccn2)CCN1C(=O)C(=O)C1CC1
|
C25H29N5O4 463.538000 |
NHYRUWAZWACFJL-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594897; PubChem:CID72201112
|
Local ready
Direct docking supported
|
|
E3L062235
BDB062235
|
BDBM50594927
CCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(c4ccc(C(C)(C)C)cc4OCC)=NC(c4ccc(Cl)cc4)C3c3ccc(Cl)cc3)CC2=O)C(=O)C1
|
C76H88Cl4N10O11 1459.411000 |
BYXQFJDQDXLTHH-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50594927
|
Local ready
Direct docking supported
|
|
E3L062236
BDB062236
|
BDBM50594928
CS(=O)(=O)N1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)n3cnnc23)CC1
|
C20H21FN6O3S 444.492000 |
DPEJVECSXSDQBF-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50594928; PubChem:CID168268908
|
Local ready
Direct docking supported
|
|
E3L062237
BDB062237
|
BDBM50594929
CCS(=O)(=O)N1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)n3cnnc23)CC1
|
C21H23FN6O3S 458.519000 |
UZPBBFNYERAEOH-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50594929; PubChem:CID168271957
|
Local ready
Direct docking supported
|
|
E3L062238
BDB062238
|
BDBM50594930
CN1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)n3cnnc23)CC1
|
C20H21FN6O 380.427000 |
GSMZSMZYMPZXHQ-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50594930; PubChem:CID168279963
|
Local ready
Direct docking supported
|
|
E3L062239
BDB062239
|
BDBM50594931
CC(=O)N1CC=C(c2cnc(NCC3Cc4cc(F)ccc4O3)n3cnnc23)CC1
|
C21H21FN6O2 408.437000 |
LCRMRSBJHAPOQV-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50594931; PubChem:CID168270399
|
Local ready
Direct docking supported
|
|
E3L062240
BDB062240
|
BDBM50594932
Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12
|
C22H18FN5O 387.418000 |
AXFZDSVXHNRVJV-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50594932; PubChem:CID168293000
|
Local ready
Direct docking supported
|