| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053321
BDB053321
|
BDBM50345641
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
|
C24H35N4O10P 570.536000 |
IZSRGVDFKUWJHP-MUGJNUQGSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50345641; PubChem:CID53310711
|
Local ready
Direct docking supported
|
|
E3L053322
BDB053322
|
BDBM50345642
[C]C(=O)[N][C@@H]([C][O])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@@H]([C][O])C(=O)[N][C@H](C(=O)[N][C@@H]([C]OP([O])([O])=O)C(=O)N1[C][C][C][C@H]1C(=O)[N][C@H](C(=O)[N][C@@H]([C]c1ccccc1)C(=O)[N][C@@H]([C]C([N])=O)C(=O)[N][C@@H]([C][C][C][C][N])C([N])=O)[C@@H]([C])[O])[C@@H]([C])[O]
|
C49H17N16O20P 1180.741000 |
JATSOIBVBDXUBA-IWJYOTEDSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345642
|
Local ready
Direct docking supported
|
|
E3L053323
BDB053323
|
BDBM50345643
[C][C][C@H]([C])[C@H]([N])C(=O)[N][C@@H]([C][O])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@@H]([C][O])C(=O)[N][C@H](C(=O)[N][C@@H]([C]OP([O])([O])=O)C(=O)N1[C][C][C][C@H]1C(=O)[N][C@H](C(=O)[N][C@@H]([C]c1ccccc1)C(=O)[N][C@@H]([C]C([N])=O)C(=O)[N][C@@H]([C][C][C][C][N])C(=O)[N][C@@H]([C][C]C([N])=O)C(=O)[N][C@H](C([O])=O)[C@@H]([C])[O])[C@@H]([C])[O])[C@@H]([C])[O]
|
C62H22N19O25P 1463.940000 |
YOTAZFQDBGZEQX-COYLPFMLSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345643
|
Local ready
Direct docking supported
|
|
E3L053324
BDB053324
|
BDBM50346490
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H33NO4S 479.642000 |
SQPZWJRGUNXUDT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346490; PubChem:CID91932260
|
Local ready
Direct docking supported
|
|
E3L053325
BDB053325
|
BDBM50346495
CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(CC(C)(C)C(=O)O)cc1
|
C29H33FO5 480.576000 |
CUGANKZNPVCXMD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346495; PubChem:CID54586152
|
Local ready
Direct docking supported
|
|
E3L053326
BDB053326
|
BDBM50346496
CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C27H33NO4S 467.631000 |
DKZXCFOTNAJSSU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346496; PubChem:CID91413680
|
Local ready
Direct docking supported
|
|
E3L053327
BDB053327
|
BDBM50346506
Cc1ccc(OCCCOc2ccc(CCC(=O)O)cc2)c(Cl)c1
|
C19H21ClO4 348.826000 |
BEBBFBSZPRQNMH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346506; PubChem:CID54585197
|
Local ready
Direct docking supported
|
|
E3L053328
BDB053328
|
BDBM50346507
CCCc1cc([C@H]2CC[C@H](O)CC2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C27H33NO6 467.562000 |
WQTORKHEYYNDIO-LBZQVFOQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50346507
|
Local ready
Direct docking supported
|
|
E3L053329
BDB053329
|
BDBM50346511
CC[C@](C)(Cc1ccc(OCCCOc2ccc(C3CCCCC3)cc2Cl)cc1)C(=O)O
|
C27H35ClO4 459.026000 |
NGDLNDXURJLNCZ-HHHXNRCGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346511; PubChem:CID54587162
|
Local ready
Direct docking supported
|
|
E3L053330
BDB053330
|
BDBM50346512
CC(C)C1=CC(C)(C)Oc2cc(OCCCOc3ccc(CC(C)(C)C(=O)O)cc3)c(Cl)cc21
|
C28H35ClO5 487.036000 |
ZPBUQVNZUSWBAE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346512; PubChem:CID54585198
|
Local ready
Direct docking supported
|
|
E3L053331
BDB053331
|
BDBM50346513
CC1(C)C=C(c2cccc(C(F)(F)F)c2)c2ccc(OCCCOc3ccc(CC(C)(C)C(=O)O)cc3)cc2O1
|
C32H33F3O5 554.605000 |
FTGQWQSVJNWEEF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346513; PubChem:CID54584232
|
Local ready
Direct docking supported
|
|
E3L053332
BDB053332
|
BDBM50346516
Cc1ccc(S(=O)(=O)Oc2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
|
C22H21NO7S2 475.544000 |
VGZODMCYFLMFCB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346516; PubChem:CID286310
|
Local ready
Direct docking supported
|
|
E3L053333
BDB053333
|
BDBM50346517
COC1=C(OC)Cc2c(cc[n+]3c(CCC(=O)O)c4cc(OC)c(OC)cc4cc23)C1
|
C24H26NO6+ 424.473000 |
OEJNPKRBIYBZOT-UHFFFAOYSA-O | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346517; PubChem:CID53249102
|
Local ready
Direct docking supported
|
|
E3L053334
BDB053334
|
BDBM50346518
COc1ccc(-c2nc(SCC(=O)O)n(-c3ccccn3)c2-c2ccc(OC)cc2)cc1
|
C24H21N3O4S 447.516000 |
AAOMTCRNGRTIQQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50346518; PubChem:CID431161
|
Local ready
Direct docking supported
|
|
E3L053335
BDB053335
|
BDBM50346552
C=c1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1
|
C24H19N3O6 445.431000 |
QZBUMRNGAHPCMI-UHFFFAOYSA-N | Q09472, Q92793, Q92794, Q92831 | Histone acetyltransferase p300, CREB-binding protein, Histone acetyltransferase KAT2B, Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50346552; PubChem:CID7031711
|
Local ready
Direct docking supported
|
|
E3L053336
BDB053336
|
2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
O=c1c2cccnc2sn1-c1ccc(F)cc1
|
C12H7FN2OS 246.266000 |
QMCIVCACYJRAAY-UHFFFAOYSA-N | Q09472, Q92793, Q92831 | Histone acetyltransferase KAT2B, CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50346554; PubChem:CID9992116
|
Local ready
Direct docking supported
|
|
E3L053337
BDB053337
|
BDBM50346555
COc1ccc(-n2sc3ncc([N+](=O)[O-])cc3c2=O)cc1
|
C13H9N3O4S 303.299000 |
VDUJLOYKPUKRLR-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50346555; PubChem:CID393168
|
Local ready
Direct docking supported
|
|
E3L053338
BDB053338
|
BDBM50346556
Cc1cnc2sn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2c1
|
C13H9N3O3S 287.300000 |
AXKZWVZGLCQMJV-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50346556; PubChem:CID394797
|
Local ready
Direct docking supported
|
|
E3L053339
BDB053339
|
2-(4-Nitrophenyl)isothiazolo[5,4-b]pyridin-3-one
O=c1c2cccnc2sn1-c1ccc([N+](=O)[O-])cc1
|
C12H7N3O3S 273.273000 |
FNOXOZZGUYTTPU-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50346557; PubChem:CID393163
|
Local ready
Direct docking supported
|
|
E3L053340
BDB053340
|
BDBM50346558
O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc([N+](=O)[O-])cc1
|
C12H6N4O5S 318.270000 |
HIFFZHAFMRRMFV-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50346558; PubChem:CID393164
|
Local ready
Direct docking supported
|