| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065401
BDB065401
|
BDBM50651830
CN(C)[C@H]1CC[C@H](Oc2ncnc3sc4c(c23)[C@@H](CCC#N)CC4)CC1
|
C20H26N4OS 370.522000 |
UPRSMFSVVWXPPV-KKUMJFAQSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50651830
|
Local ready
Direct docking supported
|
|
E3L065402
BDB065402
|
BDBM50652207
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccccc4)s3)C2=O)cc1
|
C23H19NO3S2 421.543000 |
PQIOLQSYDABIRM-MOSHPQCFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652207; PubChem:CID177372398
|
Local ready
Direct docking supported
|
|
E3L065403
BDB065403
|
BDBM50652208
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4)s3)C2=O)cc1
|
C22H16N2O5S2 452.513000 |
FIIKOEDTKLAUGF-UNOMPAQXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652208; PubChem:CID177372399
|
Local ready
Direct docking supported
|
|
E3L065404
BDB065404
|
BDBM50652209
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccccc4)s3)C2=O)cc1
|
C22H17NO3S2 407.516000 |
HHANBPMOIARBKR-UYRXBGFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652209; PubChem:CID177372400
|
Local ready
Direct docking supported
|
|
E3L065405
BDB065405
|
BDBM50652210
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc5ccccc5c4)s3)C2=O)cc1
|
C26H19NO3S2 457.576000 |
HCKMTHLYPNHWOD-HAHDFKILSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652210; PubChem:CID177372401
|
Local ready
Direct docking supported
|
|
E3L065406
BDB065406
|
BDBM50652211
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Nc4ccccc4Cl)s3)C2=O)cc1
|
C22H17ClN2O2S2 440.977000 |
STLABVCVJNROMP-UNOMPAQXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652211; PubChem:CID169450099
|
Local ready
Direct docking supported
|
|
E3L065407
BDB065407
|
BDBM50652212
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Nc4cccc(Cl)c4)s3)C2=O)cc1
|
C22H17ClN2O2S2 440.977000 |
GYLLGYDVQJYVSV-UNOMPAQXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652212; PubChem:CID169450100
|
Local ready
Direct docking supported
|
|
E3L065408
BDB065408
|
BDBM50652213
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Nc4ccc(Cl)cc4)s3)C2=O)cc1
|
C22H17ClN2O2S2 440.977000 |
QBPKNLRFYDBRAM-UNOMPAQXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652213; PubChem:CID177372402
|
Local ready
Direct docking supported
|
|
E3L065409
BDB065409
|
BDBM50652214
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Nc4ccccc4[N+](=O)[O-])s3)C2=O)cc1
|
C22H17N3O4S2 451.529000 |
FSIMDKUTJYDRCU-UNOMPAQXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652214; PubChem:CID177372403
|
Local ready
Direct docking supported
|
|
E3L065410
BDB065410
|
BDBM50652215
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Nc4ccc([N+](=O)[O-])cc4)s3)C2=O)cc1
|
C22H17N3O4S2 451.529000 |
GTGUNOIWEBHPMX-UNOMPAQXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652215; PubChem:CID177372404
|
Local ready
Direct docking supported
|
|
E3L065411
BDB065411
|
BDBM50652216
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Nc4ccc(Cl)cc4)cc3)C2=O)cc1
|
C24H19ClN2O2S 434.948000 |
XNLAXWKKKXTORG-HMAPJEAMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652216; PubChem:CID177372405
|
Local ready
Direct docking supported
|
|
E3L065412
BDB065412
|
BDBM50652217
COc1cccc(CN2C(=O)S/C(=C\c3ccc(Nc4cccc(Cl)c4)cc3)C2=O)c1
|
C24H19ClN2O3S 450.947000 |
SFRTXCGTOOVGMB-XKZIYDEJSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652217; PubChem:CID177372406
|
Local ready
Direct docking supported
|
|
E3L065413
BDB065413
|
BDBM50652218
COc1cccc(CN2C(=O)S/C(=C\c3ccc(Nc4ccc(Cl)cc4)cc3)C2=O)c1
|
C24H19ClN2O3S 450.947000 |
SAWRBHXSEHERBN-HMAPJEAMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50652218; PubChem:CID177372407
|
Local ready
Direct docking supported
|
|
E3L065414
BDB065414
|
BDBM50652318
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCCCC(=O)N1CCN(C(=O)c2ccc(Cc3n[nH]c(=O)c4ccccc34)cc2F)CC1
|
C40H34FN7O5 711.754000 |
DVVWBNRLLHVHHR-FUSAAYRXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50652318
|
Local ready
Direct docking supported
|
|
E3L065415
BDB065415
|
BDBM50652319
O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\OCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C40H33F2N7O5 729.744000 |
WKEPWEMBKYPJEE-XEFBYOCSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50652319
|
Local ready
Direct docking supported
|
|
E3L065416
BDB065416
|
BDBM50652320
O=C1Nc2ccc(Br)cc2/C1=C1/Nc2ccccc2/C1=N\OCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C40H33BrFN7O5 790.650000 |
MTCHVZBUKUKYRO-XEFBYOCSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50652320
|
Local ready
Direct docking supported
|
|
E3L065417
BDB065417
|
BDBM50652321
O=C1Nc2ccccc2/C1=C1/Nc2ccc(F)cc2/C1=N\OCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C40H33F2N7O5 729.744000 |
RRCXMEAOZZGVGU-XEFBYOCSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50652321
|
Local ready
Direct docking supported
|
|
E3L065418
BDB065418
|
BDBM50652735
O=C1/C(=C/c2ccccc2Cl)CNC/C1=C\c1ccccc1Cl
|
C19H15Cl2NO 344.241000 |
RVBVBUPGVORCBH-KAVGSWPWSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50652735; PubChem:CID20416742
|
Local ready
Direct docking supported
|
|
E3L065419
BDB065419
|
PROTAC DYRK2 degrader 1
O=C(CN1C/C(=C\c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C42H43Br2N5O9 921.640000 |
MSJQVDOQEDVIAO-KBWMUOTDSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50652736; PubChem:CID171713936
|
Local ready
Direct docking supported
|
|
E3L065420
BDB065420
|
BDBM50652775
O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1
|
C22H23N5O2 389.459000 |
LJIFOCRGDDQFJF-UHFFFAOYSA-N | P29375, P41229, Q8NHM5 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM50652775; PubChem:CID73010924
|
Local ready
Direct docking supported
|