| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059801
BDB059801
|
HIF-1alpha-p300 PPI inhibitor-3
CC(C)COc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3OC(C)C)cc2OCC(C)C)ccc1N
|
C32H39N3O7 577.678000 |
DEVFACJKXJGZLA-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50537296; PubChem:CID86302322
|
Local ready
Direct docking supported
|
|
E3L059802
BDB059802
|
BDBM50537297
CN1C(=O)[C@@]2(Cc3ccc(CCc4ccc(C[C@@]56SS[C@@](CO)(C(=O)N5C)N(C)C6=O)cc4)cc3)NC(=O)[C@]1(CO)SS2
|
C29H32N4O6S4 660.865000 |
UUONGCFZYQAMCW-DZUOILHNSA-N | Q09472 | Histone acetyltransferase p300, Hypoxia-inducible factor 1-alpha |
BindingDB
BindingDB:BDBM50537297
|
Local ready
Direct docking supported
|
|
E3L059803
BDB059803
|
BDBM50537298
COc1ccc(S(=O)(=O)N(Cc2ccc(CN3CCOCC3)cc2)C2CCC2)cc1OC
|
C24H32N2O5S 460.596000 |
NQAPPDDZGLLQAI-UHFFFAOYSA-N | Q09472 | Hypoxia-inducible factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50537298; PubChem:CID137648299
|
Local ready
Direct docking supported
|
|
E3L059804
BDB059804
|
BDBM50537299
COc1ccc(S(=O)(=O)N(Cc2ccc(CN3CCOCC3)cc2)c2ccccc2)cc1OC
|
C26H30N2O5S 482.602000 |
YGSOSXNRUFCZAY-UHFFFAOYSA-N | Q09472 | Hypoxia-inducible factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50537299; PubChem:CID155564172
|
Local ready
Direct docking supported
|
|
E3L059805
BDB059805
|
BDBM50537301
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C
|
C189H308N54O69S2 4504.986000 |
WGFFHCHNXKRRRU-AJNVYSMDSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50537301
|
Local ready
Direct docking supported
|
|
E3L059806
BDB059806
|
BDBM50537302
COc1ccc([C@@]2(c3nc(N)[nH]c3-c3ccc(O)cc3)N=C3N=CC=C4c5ccccc5N=C2N43)cc1
|
C28H21N7O2 487.523000 |
LAKIFSXWKDYGDL-NDEPHWFRSA-N | Q09472 | Hypoxia-inducible factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50537302; PubChem:CID132535211
|
Local ready
Direct docking supported
|
|
E3L059807
BDB059807
|
BDBM50537303
CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc(NC(=O)c2ccc(N)c(OC(C)C)c2)c(OCC(C)C)c1
|
C32H39N3O7 577.678000 |
GSJQASFFAVJQAC-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50537303; PubChem:CID155558481
|
Local ready
Direct docking supported
|
|
E3L059808
BDB059808
|
BDBM50537304
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C
|
C156H256N46O55S 3688.098000 |
DPGAKWHNEOFPPO-MSBFPDAASA-N | Q09472 | Hypoxia-inducible factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50537304; PubChem:CID155556715
|
Local ready
Direct docking supported
|
|
E3L059809
BDB059809
|
PI3K-IN-9
C[C@@H]1C[C@H]1C(=O)N1CCN(c2cnc(C#N)c(-c3cnn(C)c3)n2)C[C@H]1C
|
C19H23N7O 365.441000 |
GXEXIUKEWXZCEF-UMVBOHGHSA-N | O14965, P51617, P51948 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50537742; PubChem:CID145704650
|
Local ready
Direct docking supported
|
|
E3L059810
BDB059810
|
BDBM50538084
CC(C)Oc1ccc(F)c(-c2cnc(N)c(C(=O)Nc3cnccc3N3CCC[C@@H](C(=O)O)C3)n2)c1
|
C25H27FN6O4 494.527000 |
UZIATSFXNVOVFE-OAHLLOKOSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50538084; PubChem:CID139600315
|
Local ready
Direct docking supported
|
|
E3L059811
BDB059811
|
BDBM50538275
O=S(=O)(Nc1cn(C2CCCCC2)cn1)c1cc(Br)cc(Cl)c1O
|
C15H17BrClN3O3S 434.743000 |
FZZVAOWEPRLNJJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538275; PubChem:CID156010175
|
Local ready
Direct docking supported
|
|
E3L059812
BDB059812
|
BDBM50538276
O=S(=O)(Nc1cn(-c2ccccc2)cn1)c1cc(Br)cc(Cl)c1O
|
C15H11BrClN3O3S 428.695000 |
XMFFLMGSEPXKEH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538276; PubChem:CID156009733
|
Local ready
Direct docking supported
|
|
E3L059813
BDB059813
|
BDBM50538277
O=S(=O)(Nc1cn(-c2ccccc2C(F)(F)F)cn1)c1cc(Br)cc(Cl)c1O
|
C16H10BrClF3N3O3S 496.692000 |
AKZGUJQADWDMGW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538277; PubChem:CID156021686
|
Local ready
Direct docking supported
|
|
E3L059814
BDB059814
|
BDBM50538278
CC(C)CCn1cnc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1
|
C14H17BrClN3O3S 422.732000 |
XGIJWWJNPQPKBI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538278; PubChem:CID156016842
|
Local ready
Direct docking supported
|
|
E3L059815
BDB059815
|
BDBM50538279
O=S(=O)(Nc1cn(C(C2CC2)C2CC2)cn1)c1cc(Br)cc(Cl)c1O
|
C16H17BrClN3O3S 446.754000 |
KMTMRKUFHUQWTN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538279; PubChem:CID156019544
|
Local ready
Direct docking supported
|
|
E3L059816
BDB059816
|
BDBM50538280
CC(C)n1cnc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1
|
C12H13BrClN3O3S 394.678000 |
GBSCURWKEPCSPX-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538280; PubChem:CID156011251
|
Local ready
Direct docking supported
|
|
E3L059817
BDB059817
|
BDBM50538281
O=S(=O)(Nc1cn(C2CC2)cn1)c1cc(Br)cc(Cl)c1O
|
C12H11BrClN3O3S 392.662000 |
YEVKDDIKGMTEBP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538281; PubChem:CID156014769
|
Local ready
Direct docking supported
|
|
E3L059818
BDB059818
|
BDBM50538282
O=S(=O)(Nc1cn(C2CCC2)cn1)c1cc(Br)cc(Cl)c1O
|
C13H13BrClN3O3S 406.689000 |
PJAVKNBPZPRFPY-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538282; PubChem:CID156012870
|
Local ready
Direct docking supported
|
|
E3L059819
BDB059819
|
BDBM50538283
O=S(=O)(Nc1cn(C2CCCC2)cn1)c1cc(Br)cc(Cl)c1O
|
C14H15BrClN3O3S 420.716000 |
RWBIWQQGKHMDCL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538283; PubChem:CID146019257
|
Local ready
Direct docking supported
|
|
E3L059820
BDB059820
|
BDBM50538284
O=S(=O)(Nc1cn(C2CCNC2)cn1)c1cc(Br)cc(Cl)c1O
|
C13H14BrClN4O3S 421.704000 |
GGQZIACXEPHTRW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50538284; PubChem:CID156016770
|
Local ready
Direct docking supported
|