| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065281
BDB065281
|
BDBM50649797
CC(=O)O[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
|
C30H29F3N4O4 566.580000 |
TTYAMVIDEYZRJI-PTPZFQRBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50649797
|
Local ready
Direct docking supported
|
|
E3L065282
BDB065282
|
BDBM50649798
Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1C[C@H](F)C(=O)N1c1ccc(F)c(F)c1)n2[C@H]1CC[C@H](O)CC1
|
C28H27F3N4O3 524.543000 |
GHSPKSUJZGNCRJ-JNLMMFOCSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50649798
|
Local ready
Direct docking supported
|
|
E3L065283
BDB065283
|
BDBM50649799
CCO[C@H]1CC[C@H](n2c([C@@H]3C[C@H](F)C(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
|
C30H31F3N4O3 552.597000 |
ZLEMLLJTYHFBLY-PTPZFQRBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50649799
|
Local ready
Direct docking supported
|
|
E3L065284
BDB065284
|
RORgammat antagonist Bit-L15
C[C@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc2c(-c3ccc(C(=O)O)cc3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
C79H114ClF3N4O21 1548.235000 |
MJSDDOUMGAHLJG-XGRFJCJYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50650275; PubChem:CID176515282
|
Local ready
Direct docking supported
|
|
E3L065285
BDB065285
|
BDBM50650698
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](S(=O)(=O)F)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(C)(C)C)cc1
|
C40H58FN7O10S3 912.142000 |
NDEPBNKCDRPYSO-YGVHHCOISA-N | P40337, Q15369 | von Hippel-Lindau disease tumor suppressor, Elongin-C |
BindingDB
BindingDB:BDBM50650698
|
Local ready
Direct docking supported
|
|
E3L065286
BDB065286
|
BDBM50650699
CC(=O)N[C@H](C(=O)N1C[C@H](S(=O)(=O)F)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C
|
C24H31FN4O5S2 538.667000 |
PRXFJSQZZAGYAJ-SVFBPWRDSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM50650699; PubChem:CID177371364
|
Local ready
Direct docking supported
|
|
E3L065287
BDB065287
|
FXR agonist 15
CC(C)CN(c1ccc(-c2ccc(OCC(=O)O)c(F)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
|
C24H22Cl2FNO5S 526.413000 |
NRHZDVWFLPAECO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50650814; PubChem:CID177371419
|
Local ready
Direct docking supported
|
|
E3L065288
BDB065288
|
BDBM50650836
Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@@H](O)C3)OC(C)(C)C4)n2)cn1
|
C23H25N5O4 435.484000 |
ATVTUVKVZSYFBE-IYBDPMFKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50650836
|
Local ready
Direct docking supported
|
|
E3L065289
BDB065289
|
BDBM50650889
N=C(N)c1ccc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2c1
|
C21H14N2O4 358.353000 |
LXVQDLUVZXSAMM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650889; PubChem:CID13364045
|
Local ready
Direct docking supported
|
|
E3L065290
BDB065290
|
(1-Aminoisoquinolin-6-yl) 2-oxochromene-3-carboxylate
Nc1nccc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc12
|
C19H12N2O4 332.315000 |
VQIYWLSRRDXYEC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650890; PubChem:CID177371473
|
Local ready
Direct docking supported
|
|
E3L065291
BDB065291
|
BDBM50650891
N=C(N)c1ccc2cc(OC(=O)c3cc4cc(CCl)ccc4oc3=O)ccc2c1
|
C22H15ClN2O4 406.825000 |
KMGOUJWXBMXPGK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650891; PubChem:CID177371474
|
Local ready
Direct docking supported
|
|
E3L065292
BDB065292
|
BDBM50650892
N=C(N)c1ccc2cc(OC(=O)c3cc4cc(Br)ccc4oc3=O)ccc2c1
|
C21H13BrN2O4 437.249000 |
JGBKESBUYUNPNF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650892; PubChem:CID177371475
|
Local ready
Direct docking supported
|
|
E3L065293
BDB065293
|
BDBM50650893
Cc1ccc2oc(=O)c(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)cc2c1
|
C22H16N2O4 372.380000 |
LOCHWXVTCJCGRE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650893; PubChem:CID177371476
|
Local ready
Direct docking supported
|
|
E3L065294
BDB065294
|
BDBM50650894
N=C(N)c1ccc2cc(OC(=O)c3cc4cc(CO)ccc4oc3=O)ccc2c1
|
C22H16N2O5 388.379000 |
OYYKPXJZUCESPN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650894; PubChem:CID177371477
|
Local ready
Direct docking supported
|
|
E3L065295
BDB065295
|
BDBM50650895
COc1ccc2oc(=O)c(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)cc2c1
|
C22H16N2O5 388.379000 |
XMCBAJORGVQLDN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650895; PubChem:CID177371478
|
Local ready
Direct docking supported
|
|
E3L065296
BDB065296
|
BDBM50650896
COc1ccc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)oc2c1
|
C22H16N2O5 388.379000 |
MYDAOLARMWSMRJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650896; PubChem:CID177371479
|
Local ready
Direct docking supported
|
|
E3L065297
BDB065297
|
BDBM50650897
COc1ccc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)oc2c1
|
C20H14N2O5 362.341000 |
WGRQAUSSUKTSHC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650897; PubChem:CID177371480
|
Local ready
Direct docking supported
|
|
E3L065298
BDB065298
|
FXIIa-IN-2
COc1cc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)oc2cc1OC
|
C23H18N2O6 418.405000 |
SYHAFKBWNBYQST-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650898; PubChem:CID168475895
|
Local ready
Direct docking supported
|
|
E3L065299
BDB065299
|
FXIIa-IN-1
COc1cc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)oc2cc1OC
|
C21H16N2O6 392.367000 |
MRKFVLTUFONGMP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650899; PubChem:CID168475894
|
Local ready
Direct docking supported
|
|
E3L065300
BDB065300
|
BDBM50650900
N=C(N)c1ccc2cc(OC(=O)c3cc4ccccc4sc3=O)ccc2c1
|
C21H14N2O3S 374.421000 |
LWNJXBYOZLFQQB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50650900; PubChem:CID177371481
|
Local ready
Direct docking supported
|