| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060061
BDB060061
|
BDBM50545152
Nc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C28H25F2N5O3 517.536000 |
GXXMDTMOEKZYDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50545152; PubChem:CID156012470
|
Local ready
Direct docking supported
|
|
E3L060062
BDB060062
|
3-Bromo-L-thyroxine
N[C@@H](Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
|
C15H11BrI3NO4 729.872000 |
FLZBERKCPNJGFB-LBPRGKRZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545549; PubChem:CID125292230
|
Local ready
Direct docking supported
|
|
E3L060063
BDB060063
|
3-Bromo-3_,5,5_-triiodothyroacetic acid
O=C(O)Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
|
C14H8BrI3O4 700.830000 |
KTERKZCXUGODHD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545550; PubChem:CID156011567
|
Local ready
Direct docking supported
|
|
E3L060064
BDB060064
|
BDBM50545869
COc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(C)n1
|
C23H21N3O5 419.437000 |
MSEZZLRIKHYCJJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545869; PubChem:CID162666209
|
Local ready
Direct docking supported
|
|
E3L060065
BDB060065
|
BDBM50545870
COc1cncc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1
|
C22H19N3O5 405.410000 |
VQMXJJRDXPPSEB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545870; PubChem:CID162652838
|
Local ready
Direct docking supported
|
|
E3L060066
BDB060066
|
BDBM50545871
COc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cn1
|
C22H19N3O5 405.410000 |
WBDMHCWCXNGNHI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50545871; PubChem:CID46909009
|
Local ready
Direct docking supported
|
|
E3L060067
BDB060067
|
BDBM50545872
COc1ncccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
|
C22H19N3O5 405.410000 |
CLWWYTKLOAPLPL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50545872; PubChem:CID162663599
|
Local ready
Direct docking supported
|
|
E3L060068
BDB060068
|
BDBM50545873
Cc1ccncc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
|
C22H19N3O4 389.411000 |
YJVDQDDVDAKGMS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50545873; PubChem:CID162660411
|
Local ready
Direct docking supported
|
|
E3L060069
BDB060069
|
BDBM50545874
Cc1cncc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1
|
C22H19N3O4 389.411000 |
CWOXPORORXFWHF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545874; PubChem:CID162647714
|
Local ready
Direct docking supported
|
|
E3L060070
BDB060070
|
BDBM50545875
Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cn1
|
C22H19N3O4 389.411000 |
IJAOVRZLJPZSAI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545875; PubChem:CID162656836
|
Local ready
Direct docking supported
|
|
E3L060071
BDB060071
|
BDBM50545876
Cc1ncccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
|
C22H19N3O4 389.411000 |
GDYMJTAORXXJRQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545876; PubChem:CID162643736
|
Local ready
Direct docking supported
|
|
E3L060072
BDB060072
|
BDBM50545877
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccnc3)cc21
|
C21H17N3O4 375.384000 |
QINVEDAVMNJBEJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545877; PubChem:CID56933240
|
Local ready
Direct docking supported
|
|
E3L060073
BDB060073
|
BDBM50545878
COc1nc(C)ccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
|
C23H21N3O5 419.437000 |
SZSGAERWLCURJM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545878; PubChem:CID162648973
|
Local ready
Direct docking supported
|
|
E3L060074
BDB060074
|
BDBM50545879
COc1ncc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1C
|
C23H21N3O5 419.437000 |
DJOALNFLMPTOIK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545879; PubChem:CID162643819
|
Local ready
Direct docking supported
|
|
E3L060075
BDB060075
|
BDBM50545880
Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1
|
C22H19N3O4 389.411000 |
JDORYKFMJRUMSF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50545880; PubChem:CID162650818
|
Local ready
Direct docking supported
|
|
E3L060076
BDB060076
|
BDBM50545881
CCc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1
|
C23H21N3O4 403.438000 |
UACCRQNSVMUABJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50545881; PubChem:CID162644654
|
Local ready
Direct docking supported
|
|
E3L060077
BDB060077
|
BDBM50545882
COc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1
|
C22H19N3O5 405.410000 |
KTPYZMQQCMLJLP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50545882; PubChem:CID46909007
|
Local ready
Direct docking supported
|
|
E3L060078
BDB060078
|
BDBM50545883
CCOc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccn1
|
C23H21N3O5 419.437000 |
CEBQMPXGWTTXLD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50545883; PubChem:CID162664715
|
Local ready
Direct docking supported
|
|
E3L060079
BDB060079
|
BDBM50545884
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccnc(Cl)c3)cc21
|
C21H16ClN3O4 409.829000 |
QQYPXKBNPJWAFV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50545884; PubChem:CID162667535
|
Local ready
Direct docking supported
|
|
E3L060080
BDB060080
|
BDBM50545885
Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc(C)n1
|
C23H21N3O4 403.438000 |
CGWOTXWEYMDATG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50545885; PubChem:CID162661465
|
Local ready
Direct docking supported
|