| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055401
BDB055401
|
BDBM50414754
C#CCNCC(=C)N(CC(=O)N(CCO)CC(=O)N(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(N)=O)Cc1ccco1)Cc1ccco1)Cc1ccc2c(c1)OCO2)Cc1ccco1
|
C47H59N9O12 942.040000 |
XUCXRJZRNWJJBK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50414754
|
Local ready
Direct docking supported
|
|
E3L055402
BDB055402
|
BDBM50415434
CC(C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1
|
C19H21F3N2O3S 414.449000 |
KDFWMEDNCJHMME-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50415434; PubChem:CID45104342
|
Local ready
Direct docking supported
|
|
E3L055403
BDB055403
|
BDBM50415435
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1Cl
|
C15H11Cl2F3N2O3S 427.231000 |
OAGYFZOVBMHMGA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50415435; PubChem:CID45104343
|
Local ready
Direct docking supported
|
|
E3L055404
BDB055404
|
BDBM50415436
Cc1cc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1Cl
|
C16H14ClF3N2O3S 406.813000 |
HIEGRUYLQKZYQC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50415436; PubChem:CID45104440
|
Local ready
Direct docking supported
|
|
E3L055405
BDB055405
|
BDBM50415437
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Br)cc1F
|
C15H11BrF4N2O3S 455.227000 |
LYTIZLZUJXQGMX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50415437; PubChem:CID45104441
|
Local ready
Direct docking supported
|
|
E3L055406
BDB055406
|
BDBM50415438
O=C(NCCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OC(F)(F)F)cc1
|
C17H14F6N2O4S 456.364000 |
IDSPRFFWTZLWAJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50415438; PubChem:CID45104443
|
Local ready
Direct docking supported
|
|
E3L055407
BDB055407
|
BDBM50415439
Cc1ccc(S(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)nc1
|
C15H15ClN2O3S 338.816000 |
RMQMGLLPWMBHHG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50415439; PubChem:CID45104444
|
Local ready
Direct docking supported
|
|
E3L055408
BDB055408
|
Gsk3787
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1
|
C15H12ClF3N2O3S 392.786000 |
JFUIMTGOQCQTPF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50415440; PubChem:CID2800647
|
Local ready
Direct docking supported
|
|
E3L055409
BDB055409
|
BDBM50415441
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OC(F)(F)F)cc1
|
C16H12F6N2O4S 442.337000 |
MIGGRYBADDWXIR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50415441; PubChem:CID45104339
|
Local ready
Direct docking supported
|
|
E3L055410
BDB055410
|
BDBM50415442
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2)cc1
|
C21H17F3N2O3S 434.439000 |
KSXBJBDPHYBSET-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50415442; PubChem:CID45104340
|
Local ready
Direct docking supported
|
|
E3L055411
BDB055411
|
BDBM50415443
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(C2CCCCC2)cc1
|
C21H23F3N2O3S 440.487000 |
VZHDJLSVEVWQPZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50415443; PubChem:CID45104341
|
Local ready
Direct docking supported
|
|
E3L055412
BDB055412
|
BDBM50415444
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)c(Br)c1
|
C15H11BrClF3N2O3S 471.682000 |
ZXUGZUFNBZCHCX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50415444; PubChem:CID45104439
|
Local ready
Direct docking supported
|
|
E3L055413
BDB055413
|
BDBM50415445
O=C(NCCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1
|
C16H14ClF3N2O3S 406.813000 |
XNINKDZENPNJEX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50415445; PubChem:CID45104442
|
Local ready
Direct docking supported
|
|
E3L055414
BDB055414
|
4-chloro-N-(2-pyridin-2-ylsulfonylethyl)benzamide
O=C(NCCS(=O)(=O)c1ccccn1)c1ccc(Cl)cc1
|
C14H13ClN2O3S 324.789000 |
LTQDCRMWPLCXPI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50415446; PubChem:CID45104445
|
Local ready
Direct docking supported
|
|
E3L055415
BDB055415
|
BDBM50416360
CCc1cc2cc(C(CCN3CCCCC3)Cc3ccc4c(c3)OCCO4)ccc2[nH]c1=O
|
C28H34N2O3 446.591000 |
OUKAFGPUQWPFJU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50416360; PubChem:CID49798923
|
Local ready
Direct docking supported
|
|
E3L055416
BDB055416
|
BDBM50416361
O=c1[nH]c(NCCN2CCN(c3n[nH]c4ccccc34)CC2)nc2ccccc12
|
C21H23N7O 389.463000 |
DIQNAUFAGHULAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50416361; PubChem:CID136016494
|
Local ready
Direct docking supported
|
|
E3L055417
BDB055417
|
N-[(3S)-1-cyanopyrrolidin-3-yl]benzenesulfonamide
N#CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1
|
C11H13N3O2S 251.311000 |
FXILBKWGQQHVJE-JTQLQIEISA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50418001; PubChem:CID53326656
|
Local ready
Direct docking supported
|
|
E3L055418
BDB055418
|
BDBM50418123
CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H29ClF3NO6S 600.055000 |
CFDMYSOWNDTWLE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418123; PubChem:CID52918120
|
Local ready
Direct docking supported
|
|
E3L055419
BDB055419
|
BDBM50418124
CCCCN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C28H29ClF3NO5S 584.056000 |
OVHGVXGIHHVKIC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50418124; PubChem:CID52918121
|
Local ready
Direct docking supported
|
|
E3L055420
BDB055420
|
BDBM50418125
CCCCN(c1cccc(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
|
C29H35NO5S 509.668000 |
FPXPNQMJSUYWAC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50418125; PubChem:CID54585903
|
Local ready
Direct docking supported
|