| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058441
BDB058441
|
BDBM50511214
C[C@@H](Oc1ccc(CNc2cccc(C(=O)O)c2)cc1)c1ccc(F)cc1
|
C22H20FNO3 365.404000 |
HYWMNVVALUODQL-OAHLLOKOSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50511214; PubChem:CID139501082
|
Local ready
Direct docking supported
|
|
E3L058442
BDB058442
|
BDBM50511215
Cc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccc(F)cc1F
|
C22H19F2NO3 383.394000 |
IZPOHTQFQUPKDW-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50511215; PubChem:CID155550405
|
Local ready
Direct docking supported
|
|
E3L058443
BDB058443
|
BDBM50511216
Cc1cc(CNc2cc(F)cc(C(=O)O)c2)ccc1OCc1ccc(F)cc1
|
C22H19F2NO3 383.394000 |
WVFUIEWCXVBVTQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50511216; PubChem:CID155569128
|
Local ready
Direct docking supported
|
|
E3L058444
BDB058444
|
BDBM50511217
O=C(O)c1cc(Br)cc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1
|
C21H17BrFNO3 430.273000 |
YXHFIUGXWNQROS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50511217; PubChem:CID155538630
|
Local ready
Direct docking supported
|
|
E3L058445
BDB058445
|
BDBM50511218
O=C(O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)c(OCc3ccc(F)cc3)c2)c1
|
C28H23F2NO4 475.491000 |
DASUAWKEDQOGCY-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50511218; PubChem:CID155532889
|
Local ready
Direct docking supported
|
|
E3L058446
BDB058446
|
BDBM50511219
O=C(O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2OCc2ccc(F)cc2)c1
|
C28H23F2NO4 475.491000 |
QNIZIWABKSEUCQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50511219; PubChem:CID155568591
|
Local ready
Direct docking supported
|
|
E3L058447
BDB058447
|
BDBM50511548
C[C@@H]1CN(c2cc(F)c3c(c2)N(C)C(=O)C32CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)C[C@H](C)O1
|
C27H35FN6O3 510.614000 |
KZUPFZKALLNBBV-CALCHBBNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50511548; PubChem:CID138594194
|
Local ready
Direct docking supported
|
|
E3L058448
BDB058448
|
BDBM50511562
O=C1N(CCO)c2cc(F)cc(F)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2
|
C22H24F2N4O3 430.455000 |
PQGLPXUXVBAMGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50511562; PubChem:CID138594952
|
Local ready
Direct docking supported
|
|
E3L058449
BDB058449
|
BDBM50511566
O=c1[nH]c(N2CCC3(CC2)CN(CCO)c2cc(F)cc(F)c23)nc2c1CCCC2
|
C22H26F2N4O2 416.472000 |
FZQYCOUBRJEYBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50511566; PubChem:CID137701512
|
Local ready
Direct docking supported
|
|
E3L058450
BDB058450
|
BDBM50511606
CCC(C#N)Cn1c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc21
|
C19H17ClN6O 380.839000 |
OBTOXJVNGXNYAV-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511606; PubChem:CID135387021
|
Local ready
Direct docking supported
|
|
E3L058451
BDB058451
|
BDBM50511607
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CC5CCC(C4)C5(F)F)ncc3Cl)ccc21
|
C24H29ClF2N6O2 506.985000 |
MJCXMDHFAYSKJA-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511607; PubChem:CID135386055
|
Local ready
Direct docking supported
|
|
E3L058452
BDB058452
|
BDBM50511608
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3ncnc(Cl)c3C#N)ccc21
|
C18H19ClN6O2 386.843000 |
UTGRPSLQZLJOQN-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511608; PubChem:CID135386310
|
Local ready
Direct docking supported
|
|
E3L058453
BDB058453
|
BDBM50511609
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(-n4cccn4)ncc3Cl)ccc21
|
C20H22ClN7O2 427.896000 |
RXLWKUXCLVOOHE-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511609; PubChem:CID135386034
|
Local ready
Direct docking supported
|
|
E3L058454
BDB058454
|
BDBM50511610
C[C@@H]1CN(c2cc(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)c(Cl)cn2)C[C@H](C)O1
|
C24H32ClN5O3 474.005000 |
XMIPYHHPZVYQAD-IYBDPMFKSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511610; PubChem:CID135386897
|
Local ready
Direct docking supported
|
|
E3L058455
BDB058455
|
BDBM50511611
N#Cc1c(NCC2CC2)ccnc1Cl
|
C10H10ClN3 207.664000 |
NLBNRXHKCJFZBY-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511611; PubChem:CID146020593
|
Local ready
Direct docking supported
|
|
E3L058456
BDB058456
|
BDBM50511612
Cn1c(=O)n(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc21
|
C15H12ClN5O 313.748000 |
OTSZAULBNXSOMT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511612; PubChem:CID146020594
|
Local ready
Direct docking supported
|
|
E3L058457
BDB058457
|
BDBM50511613
CC[C@@H](O)Cn1c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc21
|
C18H18ClN5O2 371.828000 |
YYQGUWHFXVXQOO-GFCCVEGCSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511613; PubChem:CID146020597
|
Local ready
Direct docking supported
|
|
E3L058458
BDB058458
|
BDBM50511614
CCCCn1c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc21
|
C18H18ClN5O 355.829000 |
WLZYXCPRKPHHOM-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511614; PubChem:CID155536551
|
Local ready
Direct docking supported
|
|
E3L058459
BDB058459
|
BDBM50511615
C[C@H](O)CCn1c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc21
|
C18H18ClN5O2 371.828000 |
YEBUIPXITBJLFQ-NSHDSACASA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511615; PubChem:CID135386944
|
Local ready
Direct docking supported
|
|
E3L058460
BDB058460
|
BDBM50511616
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3ccnc(Cl)c3Cl)ccc21
|
C18H20Cl2N4O2 395.290000 |
JFDDOLYFTNBTAG-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50511616; PubChem:CID135385997
|
Local ready
Direct docking supported
|