| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059921
BDB059921
|
BDBM50540019
CS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCOCC3)c12
|
C21H23FN4O4S 446.504000 |
PZTCMTKBLRFUCQ-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50540019; PubChem:CID155580031
|
Local ready
Direct docking supported
|
|
E3L059922
BDB059922
|
BDBM50540020
CS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCS(=O)(=O)CC3)c12
|
C21H23FN4O5S2 494.570000 |
PXXCTVCAYXWEMB-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50540020; PubChem:CID155580130
|
Local ready
Direct docking supported
|
|
E3L059923
BDB059923
|
BDBM50540021
CS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCN(S(C)(=O)=O)CC3)c12
|
C22H26FN5O5S2 523.612000 |
BWWLIVPJMINJGC-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50540021; PubChem:CID156021973
|
Local ready
Direct docking supported
|
|
E3L059924
BDB059924
|
BDBM50540022
CCN1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(S(C)(=O)=O)c23)CC1
|
C23H28FN5O3S 473.574000 |
NJSAVNIWJTXRCI-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50540022; PubChem:CID156013581
|
Local ready
Direct docking supported
|
|
E3L059925
BDB059925
|
BDBM50540023
CC(=O)N1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(S(C)(=O)=O)c23)CC1
|
C23H26FN5O4S 487.557000 |
SPQHQXINNKFZLD-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50540023; PubChem:CID156013199
|
Local ready
Direct docking supported
|
|
E3L059926
BDB059926
|
BDBM50540024
CS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CCN(S(=O)(=O)C4CC4)CC3)c12
|
C24H28FN5O5S2 549.650000 |
DGCKJUCCYLHLFT-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50540024; PubChem:CID156013821
|
Local ready
Direct docking supported
|
|
E3L059927
BDB059927
|
Ethyl 2,4-dihydroxy-1,7-naphthyridine-3-carboxylate
CCOC(=O)c1c(O)c2ccncc2[nH]c1=O
|
C11H10N2O4 234.211000 |
BFUDSGXVTFJZFS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50540061; PubChem:CID118991676
|
Local ready
Direct docking supported
|
|
E3L059928
BDB059928
|
BDBM50540080
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1
|
C30H32ClN7O2 558.086000 |
RUBYHLPRZRMTJO-FLVSMNSFSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50540080; PubChem:CID118033814
|
Local ready
Direct docking supported
|
|
E3L059929
BDB059929
|
BDBM50540552
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1
|
C30H29N3O5S 543.645000 |
YJXJWPIHVCCSOE-QNEJGDQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50540552
|
Local ready
Direct docking supported
|
|
E3L059930
BDB059930
|
BDBM50540553
Cc1ccc(S(=O)(=O)NC(=O)C(C)(C)Oc2ccc(CCOc3ccc(/N=N/c4ccccc4)cc3)cc2)cc1
|
C31H31N3O5S 557.672000 |
OLVFJUIGXOLSTO-ULIFNZDWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540553
|
Local ready
Direct docking supported
|
|
E3L059931
BDB059931
|
BDBM50540554
COc1ccc(S(=O)(=O)NC(=O)C(C)(C)Oc2ccc(CCOc3ccc(/N=N/c4ccccc4)cc3)cc2)cc1
|
C31H31N3O6S 573.671000 |
MGNSDVFSJZDIAC-ULIFNZDWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540554
|
Local ready
Direct docking supported
|
|
E3L059932
BDB059932
|
BDBM50540555
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
|
C30H28ClN3O5S 578.090000 |
PJQDOFZHUXFGEA-ULIFNZDWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540555
|
Local ready
Direct docking supported
|
|
E3L059933
BDB059933
|
BDBM50540556
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
|
C30H28N4O7S 588.642000 |
DMKARDNHHQOWHC-QNEJGDQOSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540556
|
Local ready
Direct docking supported
|
|
E3L059934
BDB059934
|
BDBM50540557
CC(=O)Nc1ccc(S(=O)(=O)NC(=O)C(C)(C)Oc2ccc(CCOc3ccc(/N=N/c4ccccc4)cc3)cc2)cc1
|
C32H32N4O6S 600.697000 |
QSOVKRBRSJUMNE-XAHDOWKMSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540557
|
Local ready
Direct docking supported
|
|
E3L059935
BDB059935
|
BDBM50540558
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
|
C37H34N4O6S 662.768000 |
JWDCZCGRCJKUGZ-XQQUEIPISA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540558
|
Local ready
Direct docking supported
|
|
E3L059936
BDB059936
|
BDBM50540559
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
|
C38H36N4O6S 676.795000 |
WQDPCEMPRADPLT-CDJCAARLSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540559
|
Local ready
Direct docking supported
|
|
E3L059937
BDB059937
|
BDBM50540560
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(N)=O
|
C24H25N3O3 403.482000 |
SPLWFINJXYMQME-CYYJNZCTSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540560
|
Local ready
Direct docking supported
|
|
E3L059938
BDB059938
|
BDBM50540561
CCCCNC(=O)C(C)(C)Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1
|
C28H33N3O3 459.590000 |
ZMCLBUHDJXZASC-NVQSTNCTSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540561
|
Local ready
Direct docking supported
|
|
E3L059939
BDB059939
|
BDBM50540562
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)NCc1ccccc1
|
C31H31N3O3 493.607000 |
VODHQXJOADLMFQ-JEIPZWNWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50540562
|
Local ready
Direct docking supported
|
|
E3L059940
BDB059940
|
BDBM50540563
CC(C)(Oc1ccc(CCOc2ccc(NC(=O)c3ccccc3)cc2)cc1)C(N)=O
|
C25H26N2O4 418.493000 |
KPIPJOSZCQNWOM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50540563; PubChem:CID156018123
|
Local ready
Direct docking supported
|