| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062481
BDB062481
|
BDBM50602047
CCc1cc2ncc(CN3CC(Nc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C21H24N6O2 392.463000 |
YEEMANFJIXWISV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602047; PubChem:CID168177316
|
Local ready
Direct docking supported
|
|
E3L062482
BDB062482
|
BDBM50602048
CCc1cc2ncc(CN3CCC(Nc4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H28N6O2 420.517000 |
OWJIPVZWQPNFLC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602048; PubChem:CID168177331
|
Local ready
Direct docking supported
|
|
E3L062483
BDB062483
|
BDBM50602049
CCc1cc2ncc(CN3CC[C@@H](Nc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
HBJRTNJBCUCSST-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602049; PubChem:CID168177312
|
Local ready
Direct docking supported
|
|
E3L062484
BDB062484
|
BDBM50602050
CCc1cc2ncc(CN3CC[C@H](Nc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
HBJRTNJBCUCSST-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602050; PubChem:CID168177333
|
Local ready
Direct docking supported
|
|
E3L062485
BDB062485
|
BDBM50602051
CCc1cc2ncc(CN3CCN(c4ccc(C(N)C(F)(F)F)nc4)CC3)cc2[nH]c1=O
|
C22H25F3N6O 446.477000 |
AESWZAYAYLDGPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50602051; PubChem:CID168295943
|
Local ready
Direct docking supported
|
|
E3L062486
BDB062486
|
BDBM50602178
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)O
|
C134H206N48O37 3081.421000 |
GSFPYXRQGAYUNP-MXWPUIPCSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50602178; PubChem:CID168283092
|
Local ready
Direct docking supported
|
|
E3L062487
BDB062487
|
BDBM50602179
C[C@@H]1CN(c2ncc(F)c(Nc3ccc(NC(=O)c4cccc(Br)n4)cc3)n2)C[C@H](C)N1
|
C22H23BrFN7O 500.376000 |
YJGYJPZYSQTACG-OKILXGFUSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50602179; PubChem:CID168296180
|
Local ready
Direct docking supported
|
|
E3L062488
BDB062488
|
BDBM50602180
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C
|
C83H121N21O20S 1765.075000 |
LVYIYYGXSDQMMQ-NUMDGUEPSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50602180; PubChem:CID168288434
|
Local ready
Direct docking supported
|
|
E3L062489
BDB062489
|
BDBM50602181
O=C(O)CC(C(=O)O)N1C(=O)SC(C2C(=O)Nc3ccc(Br)cc32)C1=O
|
C15H11BrN2O7S 443.231000 |
XSZNKNKELHDTFR-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50602181; PubChem:CID168287587
|
Local ready
Direct docking supported
|
|
E3L062490
BDB062490
|
BDBM50602182
O=C(O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S
|
C14H9BrN2O4S2 413.274000 |
ZILGMVUCXJAIFQ-KHPPLWFESA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50602182
|
Local ready
Direct docking supported
|
|
E3L062491
BDB062491
|
BDBM50602183
Cc1ncccc1[C@H]1C[C@@H](c2cccc3nc(N)ccc23)Nc2c(F)cnn21
|
C21H19FN6 374.423000 |
WSRZNMRSHUJOED-RBUKOAKNSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50602183; PubChem:CID156022479
|
Local ready
Direct docking supported
|
|
E3L062492
BDB062492
|
N-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
Nc1ncnc(Nc2ccccc2Cl)n1
|
C9H8ClN5 221.651000 |
KKDOZPQOEFYIRU-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50602184; PubChem:CID2730248
|
Local ready
Direct docking supported
|
|
E3L062493
BDB062493
|
BDBM50602185
CN1CCN2c3nc(F)c(Cl)c(n3)Nc3cc4c(c(c3)OCCOC[C@H]2C1)N(C)C(=O)CC4
|
C22H26ClFN6O3 476.940000 |
BGWVUCHNOJRMHP-OAHLLOKOSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50602185; PubChem:CID168281741
|
Local ready
Direct docking supported
|
|
E3L062494
BDB062494
|
Bcl6 protac 1
CN1C(=O)CCc2cc3cc(c21)OCCOC[C@H]1CN(C(=O)CCC(=O)NCCCOCCOCCOc2cccc4c2C(=O)N(C2CCC(=O)NC2=O)C4=O)CCN1c1ncc(Cl)c(n1)N3
|
C45H52ClN9O12 946.415000 |
YQWUMLVLLIWGQJ-UYEDPJPISA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50602186; PubChem:CID162366969
|
Local ready
Direct docking supported
|
|
E3L062495
BDB062495
|
Picoberin
O=C1c2cc(Br)c(Cl)cc2C[C@H]2c3ccccc3CCN12
|
C17H13BrClNO 362.654000 |
KMFMHNWLVDMGHT-INIZCTEOSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50602335; PubChem:CID167312456
|
Local ready
Direct docking supported
|
|
E3L062496
BDB062496
|
BDBM50602804
COc1ccc(/C=C/c2cc(OC)cc(OCCCCCCCC(=O)O)c2)cc1
|
C24H30O5 398.499000 |
MNKZDYGBWDHRMX-MDZDMXLPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50602804; PubChem:CID168289957
|
Local ready
Direct docking supported
|
|
E3L062497
BDB062497
|
BDBM50602805
O=C(O)COc1ccc(COc2cccc(-c3nc4ccccc4s3)c2)cc1F
|
C22H16FNO4S 409.438000 |
ZWDWLYXUHHCRID-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50602805; PubChem:CID168273292
|
Local ready
Direct docking supported
|
|
E3L062498
BDB062498
|
BDBM50602806
O=C(O)COc1ccc(COc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1F
|
C22H15ClFNO5 427.815000 |
GTTGPBZQHVWCOV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50602806; PubChem:CID168294722
|
Local ready
Direct docking supported
|
|
E3L062499
BDB062499
|
BDBM50602807
COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1
|
C25H23FO6 438.451000 |
QASIQJGISCBDLW-ONEGZZNKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50602807; PubChem:CID156703595
|
Local ready
Direct docking supported
|
|
E3L062500
BDB062500
|
BDBM50602808
COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OCC(=O)O)cc3)c2)cc1
|
C25H24O6 420.461000 |
NUVYCAHOYFZZTL-ONEGZZNKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50602808; PubChem:CID168290747
|
Local ready
Direct docking supported
|