| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054001
BDB054001
|
BDBM50361298
C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/C(C)(C)CC)oc3C)ccc2C[C@H]1C(=O)O
|
C29H36N2O5 492.616000 |
KBTJRXUWHKVRNI-LLKLBQNTSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361298; PubChem:CID57391788
|
Local ready
Direct docking supported
|
|
E3L054002
BDB054002
|
BDBM50361299
C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/C(C)(C)C)oc3C)ccc2C[C@H]1C(=O)O
|
C28H34N2O5 478.589000 |
YGDZMPWWLQYQQR-MPICRWLTSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361299; PubChem:CID10184204
|
Local ready
Direct docking supported
|
|
E3L054003
BDB054003
|
BDBM50361300
C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C(C)=C/CC)oc3C)ccc2C[C@H]1C(=O)O
|
C27H32N2O5 464.562000 |
FLZRZOXIWXGBOS-MGXYEQLBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361300; PubChem:CID10226739
|
Local ready
Direct docking supported
|
|
E3L054004
BDB054004
|
BDBM50361301
C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C(=C/C)CC)oc3C)ccc2C[C@H]1C(=O)O
|
C27H32N2O5 464.562000 |
NLNWLZVETSXTNP-ADBGUPPKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361301; PubChem:CID57400437
|
Local ready
Direct docking supported
|
|
E3L054005
BDB054005
|
BDBM50361337
CCCCCS(=O)(=O)NC(=O)/C=C/c1cc(C2CC2)nn1Cc1ccc(C(F)(F)F)cc1Cl
|
C22H25ClF3N3O3S 503.974000 |
CJIKTQZSLSKZBX-MDZDMXLPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361337; PubChem:CID56949691
|
Local ready
Direct docking supported
|
|
E3L054006
BDB054006
|
BDBM50361338
CC(C)CCS(=O)(=O)NC(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl
|
C22H27ClF3N3O4S 521.989000 |
WAYNNTRFJIBVSS-BQYQJAHWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50361338; PubChem:CID56949693
|
Local ready
Direct docking supported
|
|
E3L054007
BDB054007
|
BDBM50361339
CCCCCS(=O)(=O)NC(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl
|
C22H27ClF3N3O4S 521.989000 |
XBWPSVQIRYMIBM-MDZDMXLPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50361339; PubChem:CID56949692
|
Local ready
Direct docking supported
|
|
E3L054008
BDB054008
|
BDBM50361340
CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl
|
C22H29ClF3N3O4S 524.005000 |
HDOPACYQZJBICA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361340; PubChem:CID57391546
|
Local ready
Direct docking supported
|
|
E3L054009
BDB054009
|
BDBM50361341
CCCCCS(=O)(=O)NC(=O)/C=C/c1cc(C(C)C)nn1Cc1ccc(Cl)cc1Cl
|
C21H27Cl2N3O3S 472.438000 |
KWRVBVLLHNSFPY-MDZDMXLPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361341; PubChem:CID57396783
|
Local ready
Direct docking supported
|
|
E3L054010
BDB054010
|
BDBM50361342
COCCOc1cc(/C=C/C(=O)NS(=O)(=O)CCC(C)C)n(Cc2ccc(C(F)(F)F)cc2Cl)n1
|
C22H27ClF3N3O5S 537.988000 |
NFHYBQJAQCWDED-VOTSOKGWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361342; PubChem:CID57396782
|
Local ready
Direct docking supported
|
|
E3L054011
BDB054011
|
BDBM50361343
CCCCCS(=O)(=O)NC(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
|
C21H27Cl2N3O4S 488.437000 |
RJVUQZZCWRXCKY-MDZDMXLPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50361343; PubChem:CID57402017
|
Local ready
Direct docking supported
|
|
E3L054012
BDB054012
|
BDBM50361344
CCCCCS(=O)(=O)NC(=O)CCc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1Cl
|
C24H27Cl2N3O3S 508.471000 |
IPYAJJNEUSJMKM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50361344; PubChem:CID57398549
|
Local ready
Direct docking supported
|
|
E3L054013
BDB054013
|
BDBM50361345
CCCCCS(=O)(=O)NC(=O)CCc1cc(C2CC2)nn1Cc1ccc(C(F)(F)F)cc1Cl
|
C22H27ClF3N3O3S 505.990000 |
CZUGCMSQWBYDPK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361345; PubChem:CID57398548
|
Local ready
Direct docking supported
|
|
E3L054014
BDB054014
|
BDBM50361346
CCCCCS(=O)(=O)NC(=O)CCc1cc(C(C)C)nn1Cc1ccc(Cl)cc1Cl
|
C21H29Cl2N3O3S 474.454000 |
LPEXJBNSYKHUDJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50361346; PubChem:CID57391547
|
Local ready
Direct docking supported
|
|
E3L054015
BDB054015
|
BDBM50361347
CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccn2)nn1Cc1ccc(Cl)cc1Cl
|
C24H28Cl2N4O4S 539.485000 |
CKSAAHSAZCMIQE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361347; PubChem:CID57400214
|
Local ready
Direct docking supported
|
|
E3L054016
BDB054016
|
BDBM50361348
CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccc2)nn1Cc1ccc(Cl)cc1Cl
|
C25H29Cl2N3O4S 538.497000 |
SLOMYYDFGVUMBJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50361348; PubChem:CID57398546
|
Local ready
Direct docking supported
|
|
E3L054017
BDB054017
|
BDBM50361349
CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCOC)nn1Cc1ccc(Cl)cc1Cl
|
C21H29Cl2N3O5S 506.452000 |
CQLIKIUFQAXDBX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361349; PubChem:CID57393297
|
Local ready
Direct docking supported
|
|
E3L054018
BDB054018
|
BDBM50361350
CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
|
C22H31Cl2N3O4S 504.480000 |
MDMHVOVSNBUVRZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361350; PubChem:CID16036134
|
Local ready
Direct docking supported
|
|
E3L054019
BDB054019
|
BDBM50361351
CC(C)Oc1cc(CCC(=O)NS(=O)(=O)c2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1
|
C22H23Cl2N3O4S 496.416000 |
XELDUUXHMMCDOV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50361351; PubChem:CID57395028
|
Local ready
Direct docking supported
|
|
E3L054020
BDB054020
|
BDBM50361352
CC(C)Oc1cc(CCC(=O)NS(=O)(=O)C2CCCCC2)n(Cc2ccc(Cl)cc2Cl)n1
|
C22H29Cl2N3O4S 502.464000 |
JAKKMZKJZCZODO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361352; PubChem:CID57393296
|
Local ready
Direct docking supported
|