| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057861
BDB057861
|
BDBM50497361
FC(F)(F)c1ccccc1-c1nc(NCc2ccc(-c3ccncc3)cc2)c2ccccc2n1
|
C27H19F3N4 456.471000 |
OZHWJTKJRJQEKI-UHFFFAOYSA-N | Q8TAF3 | WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM50497361; PubChem:CID50898222
|
Local ready
Direct docking supported
|
|
E3L057862
BDB057862
|
BDBM50497362
Cc1cc(NCc2ccc(-c3cccnc3)cc2)nc(-c2ccccc2C(C)C)n1
|
C26H26N4 394.522000 |
FMCHYHKVOLQMJU-UHFFFAOYSA-N | Q8TAF3 | WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM50497362; PubChem:CID60167869
|
Local ready
Direct docking supported
|
|
E3L057863
BDB057863
|
BDBM50497363
CSc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2cccnc2)cc1
|
C26H26N4S 426.589000 |
BCGFWIIBNQKEOS-UHFFFAOYSA-N | Q8TAF3 | WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM50497363; PubChem:CID60167917
|
Local ready
Direct docking supported
|
|
E3L057864
BDB057864
|
BDBM50497364
CC(=O)c1ccccc1-c1ncc(C)c(NCc2ccc(-c3cccnc3)cc2)n1
|
C25H22N4O 394.478000 |
GKZDFQHWVXFJMI-UHFFFAOYSA-N | Q8TAF3 | WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM50497364; PubChem:CID60167799
|
Local ready
Direct docking supported
|
|
E3L057865
BDB057865
|
BDBM50497365
FC(F)(F)c1ccccc1-c1nc(NCc2ccc(C3CCCCC3)cc2)c2ccccc2n1
|
C28H26F3N3 461.531000 |
SUWHVEKITUQXAD-UHFFFAOYSA-N | Q8TAF3 | WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM50497365; PubChem:CID60167915
|
Local ready
Direct docking supported
|
|
E3L057866
BDB057866
|
Erinarol D
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4C3=C[C@H](O)[C@@]2(O)C1
|
C46H76O4 693.110000 |
SKUAEZOTVFSAIN-VZIDHDPNSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50497663; PubChem:CID118719399
|
Local ready
Direct docking supported
|
|
E3L057867
BDB057867
|
Erinarol E
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4C3=C[C@H](O)[C@@]2(O)C1
|
C46H80O4 697.142000 |
ACLTWGZKVIQUPD-XHAHBFBPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50497664; PubChem:CID118719400
|
Local ready
Direct docking supported
|
|
E3L057868
BDB057868
|
BDBM50497665
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1
|
C46H78O2 663.128000 |
ATGRMAWSMIKGDM-UCGJZQJISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50497665
|
Local ready
Direct docking supported
|
|
E3L057869
BDB057869
|
BDBM50497666
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
|
C46H78O4 695.126000 |
XEMBVLIEIXDXDY-JDBVXFMYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50497666
|
Local ready
Direct docking supported
|
|
E3L057870
BDB057870
|
BDBM50497667
CCCCCCCCCCCCCCCC(=O)O[C@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
|
C44H76O4 669.088000 |
ONJYKWSANGGHSP-DMYFEHIWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50497667; PubChem:CID16744666
|
Local ready
Direct docking supported
|
|
E3L057871
BDB057871
|
Erinarol C
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
|
C46H74O4 691.094000 |
XZUZJKFYUFSQNX-DMKUNACRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50497668; PubChem:CID118719398
|
Local ready
Direct docking supported
|
|
E3L057872
BDB057872
|
Erinarol B
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1C2=C3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@@]23O[C@@H]13
|
C46H74O4 691.094000 |
MGFBXSWNQHWTJQ-SPHUGTQJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50497669; PubChem:CID101893614
|
Local ready
Direct docking supported
|
|
E3L057873
BDB057873
|
Erinarol A
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1C2=C3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@@]23O[C@@H]13
|
C46H76O4 693.110000 |
RUMWTSNHGVWHSU-HVXPJFCMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50497670; PubChem:CID101893613
|
Local ready
Direct docking supported
|
|
E3L057874
BDB057874
|
Ergosteryl palmitate
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1
|
C44H74O2 635.074000 |
OJDWINNMESMCGK-NXCSPJMSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50497671; PubChem:CID57339245
|
Local ready
Direct docking supported
|
|
E3L057875
BDB057875
|
Erinarol F
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@]3(O)CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4C3=C[C@H](O)[C@@]2(O)C1
|
C46H76O5 709.109000 |
PNSISTCNWNAKTQ-AIDPMJBASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50497672; PubChem:CID118719401
|
Local ready
Direct docking supported
|
|
E3L057876
BDB057876
|
BDBM50497673
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
|
C46H76O4 693.110000 |
IASUPFYZOZPFLS-VZIDHDPNSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50497673
|
Local ready
Direct docking supported
|
|
E3L057877
BDB057877
|
H-Leu-Asp-Glu-Glu-Thr-Gly-Glu-Phe-Leu-OH
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)O
|
C46H69N9O19 1052.102000 |
PNBJKHBPNIRWAS-RPSZKARGSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50498210; PubChem:CID6420114
|
Local ready
Direct docking supported
|
|
E3L057878
BDB057878
|
HKMTi-1-005
COc1cc2nc(N3CCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
|
C27H36N6O2 476.625000 |
LDFAJFPHFKEJOI-UHFFFAOYSA-N | O96028, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50498655; PubChem:CID53315436
|
Local ready
Direct docking supported
|
|
E3L057879
BDB057879
|
BDBM50498659
COc1cc2nc(N3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
|
C27H35N5O2 461.610000 |
SRRRFZBOHFCCKT-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50498659; PubChem:CID53315437
|
Local ready
Direct docking supported
|
|
E3L057880
BDB057880
|
BDBM50498661
CC(=O)N1CC(n2cc(-c3cc(C(=O)O)ccn3)nn2)C1
|
C13H13N5O3 287.279000 |
ZWYZYIJWJJUCJE-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50498661; PubChem:CID122191467
|
Local ready
Direct docking supported
|