| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050941
BDB050941
|
N-(4-hydroxynaphthalen-1-yl)decanamide
CCCCCCCCCC(=O)Nc1ccc(O)c2ccccc12
|
C20H27NO2 313.441000 |
MTUGTBYIGIITEH-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50282628; PubChem:CID145955588
|
Local ready
Direct docking supported
|
|
E3L050942
BDB050942
|
BDBM50282744
CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)OCC(F)(F)F
|
C33H32F3NO8S 659.679000 |
HBCVRVWVCJKFKN-KPKJPENVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282744; PubChem:CID145953624
|
Local ready
Direct docking supported
|
|
E3L050943
BDB050943
|
BDBM50282745
CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC
|
C30H31NO7S 549.645000 |
DNVYUYDKHHRBIH-AATRIKPKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282745; PubChem:CID145950904
|
Local ready
Direct docking supported
|
|
E3L050944
BDB050944
|
BDBM50282746
CCOC(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)C(N)=O
|
C30H32N2O6S 548.661000 |
CUHJNZUJZHDHEB-AATRIKPKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282746; PubChem:CID145958164
|
Local ready
Direct docking supported
|
|
E3L050945
BDB050945
|
BDBM50282748
CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC(F)(F)F
|
C31H28F3NO8S 631.625000 |
FBNYIGITJUMIMH-BJMVGYQFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282748; PubChem:CID145957793
|
Local ready
Direct docking supported
|
|
E3L050946
BDB050946
|
BDBM50282749
CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC(F)(F)F
|
C30H28F3NO7S 603.615000 |
IZMBESAVJVDNHL-ONEGZZNKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282749; PubChem:CID145957135
|
Local ready
Direct docking supported
|
|
E3L050947
BDB050947
|
BDBM50282750
CCOC(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)C(=O)O
|
C28H27NO7S 521.591000 |
UOJSIASZWVFVHS-ONEGZZNKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282750; PubChem:CID145958068
|
Local ready
Direct docking supported
|
|
E3L050948
BDB050948
|
BDBM50282751
CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)OCC(F)(F)F
|
C32H32F3NO7S 631.669000 |
YUQFGXOAMDWWBP-AATRIKPKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282751; PubChem:CID145959510
|
Local ready
Direct docking supported
|
|
E3L050949
BDB050949
|
BDBM50282752
CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)OCC
|
C32H35NO7S 577.699000 |
JWEWCJIKBAXRBJ-BQYQJAHWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282752; PubChem:CID145951912
|
Local ready
Direct docking supported
|
|
E3L050950
BDB050950
|
BDBM50282753
CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)OCC
|
C33H35NO8S 605.709000 |
PZRQOAPHEGZBPU-NTEUORMPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282753; PubChem:CID145959499
|
Local ready
Direct docking supported
|
|
E3L050951
BDB050951
|
BDBM50282754
CCOC(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)C(=O)O
|
C31H31NO8S 577.655000 |
JYQQNGYRZAHKLX-KPKJPENVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50282754; PubChem:CID145949774
|
Local ready
Direct docking supported
|
|
E3L050952
BDB050952
|
BDBM50282755
COc1cc(/C=C/C(=O)c2ccc3c(c2)sc(=O)n3CCOc2ccc(CC(OCC(F)(F)F)C(=O)O)cc2)cc(OC)c1
|
C31H28F3NO8S 631.625000 |
UJLBSAOUZCZAHT-BJMVGYQFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50282755; PubChem:CID145956690
|
Local ready
Direct docking supported
|
|
E3L050953
BDB050953
|
BDBM50282756
CCOC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC
|
C31H31NO8S 577.655000 |
MICQTNHRRZDXTM-KPKJPENVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282756; PubChem:CID145957371
|
Local ready
Direct docking supported
|
|
E3L050954
BDB050954
|
BDBM50282757
CCOC(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)C(=O)NC
|
C31H34N2O6S 562.688000 |
FVTNIYHCZZDMCS-VOTSOKGWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50282757; PubChem:CID145949801
|
Local ready
Direct docking supported
|
|
E3L050955
BDB050955
|
BDBM50282759
O=C(O)C(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(O)cc(O)c4)ccc32)cc1)OCC(F)(F)F
|
C28H24F3NO7S 575.561000 |
VPBCQBFYCXEYCP-OWOJBTEDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282759; PubChem:CID145959653
|
Local ready
Direct docking supported
|
|
E3L050956
BDB050956
|
BDBM50282760
COc1cc(/C=C/c2ccc3c(c2)sc(=O)n3CCOc2ccc(CC(OCC(F)(F)F)C(=O)O)cc2)cc(OC)c1
|
C30H28F3NO7S 603.615000 |
FHWDYHYHAMRIIE-ONEGZZNKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282760; PubChem:CID145952141
|
Local ready
Direct docking supported
|
|
E3L050957
BDB050957
|
BDBM50282761
CCOC(Cc1ccc(OCCn2c(=O)sc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc32)cc1)C(=O)O
|
C30H31NO7S 549.645000 |
MXQRCRVOWUCIGF-AATRIKPKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50282761; PubChem:CID145955709
|
Local ready
Direct docking supported
|
|
E3L050958
BDB050958
|
BDBM50282787
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)Cc1ccccc1
|
C20H34N2O2 334.504000 |
ZZDTZHVJFDDTQZ-NBMJBFSESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50282787; PubChem:CID44292177
|
Local ready
Direct docking supported
|
|
E3L050959
BDB050959
|
BDBM50282788
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](C[C@@H](C)Cc1ccccc1)NC(=O)OC(C)(C)C
|
C25H42N2O4 434.621000 |
JWORGZYGSSUPNL-MXNKGDRCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50282788; PubChem:CID9910816
|
Local ready
Direct docking supported
|
|
E3L050960
BDB050960
|
BDBM50282789
CCCCNC(=O)[C@H](C)C[C@H](O)C1C[C@@H](C)[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C
|
C25H40N2O4 432.605000 |
KMZUBZMKOQXBSX-YCTFDVORSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50282789; PubChem:CID44292210
|
Local ready
Direct docking supported
|