| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054041
BDB054041
|
Alectinib
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
|
C30H34N4O2 482.628000 |
KDGFLJKFZUIJMX-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50362781; PubChem:CID49806720
|
Local ready
Direct docking supported
|
|
E3L054042
BDB054042
|
BDBM50362948
COc1ccc2c(-n3c(=O)n(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4ccccc43)noc2c1
|
C25H20ClN3O6 493.903000 |
MHWFCZPGHYGQMR-CQSZACIVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362948; PubChem:CID56926276
|
Local ready
Direct docking supported
|
|
E3L054043
BDB054043
|
BDBM50362949
COc1ccc2c(-n3c(=O)n(Cc4cc([C@@]5(C)OC(O)=NC5=O)ccc4Cl)c4ccccc43)noc2c1
|
C26H19ClN4O6 518.913000 |
VCGPMOWAJJLSHO-AREMUKBSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50362949; PubChem:CID11620575
|
Local ready
Direct docking supported
|
|
E3L054044
BDB054044
|
SB-219994
CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)O)cc1)c1nc2ccccc2o1
|
C21H21F3N2O5 438.402000 |
IRAAJHYKQDFNFO-SFHVURJKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50362950; PubChem:CID9845965
|
Local ready
Direct docking supported
|
|
E3L054045
BDB054045
|
BDBM50362951
C[C@@H](Oc1cc(Cn2c(=O)n(-c3ccc(C(C)(C)C)cc3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O
|
C28H26ClF3N2O4 546.973000 |
OKAPTEQUUMALED-MRXNPFEDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362951; PubChem:CID56925893
|
Local ready
Direct docking supported
|
|
E3L054046
BDB054046
|
BDBM50362952
C[C@@H](Oc1cc(Cn2c(=O)n(-c3noc4cc(Cl)ccc34)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O
|
C25H16Cl2F3N3O5 566.319000 |
CFNFKPVONGQJGI-GFCCVEGCSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362952; PubChem:CID56925895
|
Local ready
Direct docking supported
|
|
E3L054047
BDB054047
|
BDBM50362953
COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4ccccc43)noc2c1
|
C25H20ClN3O6 493.903000 |
TVJLRPRXHKJIFM-CQSZACIVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362953; PubChem:CID56926189
|
Local ready
Direct docking supported
|
|
E3L054048
BDB054048
|
BDBM50362954
COc1ccc2c(-n3c(=O)n(Cc4cccc([C@@]5(C)OC(O)=NC5=O)c4)c4ccccc43)noc2c1
|
C26H20N4O6 484.468000 |
FOYKYLQAKICGEN-AREMUKBSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362954; PubChem:CID11591164
|
Local ready
Direct docking supported
|
|
E3L054049
BDB054049
|
BDBM50362955
COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc2c1
|
C26H19ClF3N3O6 561.900000 |
RWBHUSIDRJJGGU-CYBMUJFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362955; PubChem:CID56925997
|
Local ready
Direct docking supported
|
|
E3L054050
BDB054050
|
BDBM50362956
COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(OC(F)(F)F)ccc43)noc2c1
|
C26H19ClF3N3O7 577.899000 |
CHRXCASVPUATAE-CYBMUJFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362956; PubChem:CID56925998
|
Local ready
Direct docking supported
|
|
E3L054051
BDB054051
|
BDBM50362957
COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4ccc(C(F)(F)F)cc43)noc2c1
|
C26H19ClF3N3O6 561.900000 |
CRDQKIJLEBIBBV-CYBMUJFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362957; PubChem:CID56926094
|
Local ready
Direct docking supported
|
|
E3L054052
BDB054052
|
BDBM50362958
COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4ccc(OC(F)(F)F)cc43)noc2c1
|
C26H19ClF3N3O7 577.899000 |
OZWBJAYVUJIHRW-CYBMUJFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50362958; PubChem:CID56926095
|
Local ready
Direct docking supported
|
|
E3L054053
BDB054053
|
BDBM50362959
COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc2c1
|
C26H19ClF3N3O6 561.900000 |
RWBHUSIDRJJGGU-ZDUSSCGKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362959; PubChem:CID56926096
|
Local ready
Direct docking supported
|
|
E3L054054
BDB054054
|
BDBM50362960
COc1ccc2c(-n3c(=O)n(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4cc(C(F)(F)F)ccc43)noc2c1
|
C26H19ClF3N3O6 561.900000 |
QDKRCZLVZABFFP-CYBMUJFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362960; PubChem:CID56926097
|
Local ready
Direct docking supported
|
|
E3L054055
BDB054055
|
BDBM50362961
COc1ccc2c(-n3c(=O)n(Cc4cccc(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc2c1
|
C26H20F3N3O6 527.455000 |
ADQUKNFCICZRTP-CQSZACIVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50362961; PubChem:CID56926098
|
Local ready
Direct docking supported
|
|
E3L054056
BDB054056
|
BDBM50362962
CC[C@@H](Oc1cccc(Cn2c(=O)n(-c3noc4cc(OC)ccc34)c3ccc(C(F)(F)F)cc32)c1)C(=O)O
|
C27H22F3N3O6 541.482000 |
GPSIAMKGPQDROJ-JOCHJYFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362962; PubChem:CID56926185
|
Local ready
Direct docking supported
|
|
E3L054057
BDB054057
|
BDBM50362963
COc1ccc2c(-n3c(=O)n(Cc4ccccc4[C@@]4(C)OC(O)=NC4=O)c4cc(C(F)(F)F)ccc43)noc2c1
|
C27H19F3N4O6 552.465000 |
MNOITKPTQNWKLG-AREMUKBSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50362963; PubChem:CID56926186
|
Local ready
Direct docking supported
|
|
E3L054058
BDB054058
|
BDBM50362964
COc1ccc2c(-n3c(=O)n(Cc4ccc([C@@]5(C)OC(O)=NC5=O)cc4)c4cc(C(F)(F)F)ccc43)noc2c1
|
C27H19F3N4O6 552.465000 |
WSDLUQFJJVIHGN-AREMUKBSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362964; PubChem:CID56926187
|
Local ready
Direct docking supported
|
|
E3L054059
BDB054059
|
BDBM50362965
COc1ccc2c(-n3c(=O)n(Cc4cccc([C@@]5(C)OC(O)=NC5=O)c4)c4cc(C(F)(F)F)ccc43)noc2c1
|
C27H19F3N4O6 552.465000 |
FOJNEKOFXMOJEI-AREMUKBSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50362965
|
Local ready
Direct docking supported
|
|
E3L054060
BDB054060
|
BDBM50362966
COc1ccc2c(-n3c(=O)n(-c4cccc([C@@]5(C)OC(O)=NC5=O)c4)c4cc(C(F)(F)F)ccc43)noc2c1
|
C26H17F3N4O6 538.438000 |
YZKDCIIAMQOXRM-RUZDIDTESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50362966; PubChem:CID56926188
|
Local ready
Direct docking supported
|