| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055021
BDB055021
|
BDBM50394796
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](OCCN5CCN(C)CC5)C4)cc3)nn3cccc23)n[nH]1
|
C29H38N10O2S 590.758000 |
UMXZZNNMKDFYAG-HSZRJFAPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394796; PubChem:CID53340226
|
Local ready
Direct docking supported
|
|
E3L055022
BDB055022
|
BDBM50394797
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](OCCN5CCOCC5)C4)cc3)nn3cccc23)n[nH]1
|
C28H35N9O3S 577.715000 |
STTWKDVRVDYNAH-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394797; PubChem:CID53339554
|
Local ready
Direct docking supported
|
|
E3L055023
BDB055023
|
BDBM50394798
COCCO[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1
|
C25H30N8O3S 522.635000 |
DIZTWKKXOXSRQF-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394798; PubChem:CID53339555
|
Local ready
Direct docking supported
|
|
E3L055024
BDB055024
|
BDBM50394799
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](OCCO)C4)cc3)nn3cccc23)n[nH]1
|
C24H28N8O3S 508.608000 |
SIDSSTAVUKNHFG-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394799; PubChem:CID53340227
|
Local ready
Direct docking supported
|
|
E3L055025
BDB055025
|
BDBM50394800
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C22H24N8O2S 464.555000 |
HLXBUKYOKGQEDD-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394800; PubChem:CID57387792
|
Local ready
Direct docking supported
|
|
E3L055026
BDB055026
|
BDBM50394801
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C22H24N8O2S 464.555000 |
HLXBUKYOKGQEDD-INIZCTEOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394801; PubChem:CID53340810
|
Local ready
Direct docking supported
|
|
E3L055027
BDB055027
|
Tagitinin A
C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3
|
C19H28O7 368.426000 |
HREHFPZHVCNOMQ-XNNFIIJVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394802; PubChem:CID181254
|
Local ready
Direct docking supported
|
|
E3L055028
BDB055028
|
Tirotundin
C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(O)CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3
|
C19H28O6 352.427000 |
VKWNXJLVNFOOOS-QNIDSSLUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394803; PubChem:CID9975297
|
Local ready
Direct docking supported
|
|
E3L055029
BDB055029
|
Daminozide
CN(C)NC(=O)CCC(=O)O
|
C6H12N2O3 160.173000 |
NOQGZXFMHARMLW-UHFFFAOYSA-N | P29375, P41229, Q6ZMT4 | Lysine-specific demethylase 5A, Lysine-specific demethylase 7A, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50395076; PubChem:CID15331
|
Local ready
Direct docking supported
|
|
E3L055030
BDB055030
|
1-N',1-N',4-N',4-N'-tetramethylbutanedihydrazide
CN(C)NC(=O)CCC(=O)NN(C)C
|
C8H18N4O2 202.258000 |
BVHAPSOHXGARKS-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50395077; PubChem:CID2238068
|
Local ready
Direct docking supported
|
|
E3L055031
BDB055031
|
4-(2-Methylhydrazinyl)-4-oxobutanoic acid
CNNC(=O)CCC(=O)O
|
C5H10N2O3 146.146000 |
MKCWLGSYLPUEKY-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50395078; PubChem:CID71458738
|
Local ready
Direct docking supported
|
|
E3L055032
BDB055032
|
(3-Carboxypropanoylamino)-trimethylazanium
C[N+](C)(C)NC(=O)CCC(=O)O
|
C7H15N2O3+ 175.208000 |
KROAGZBLPYISKS-UHFFFAOYSA-O | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50395079; PubChem:CID71453382
|
Local ready
Direct docking supported
|
|
E3L055033
BDB055033
|
4-((Dimethylamino)oxy)-4-oxobutanoic acid
CN(C)OC(=O)CCC(=O)O
|
C6H11NO4 161.157000 |
DHLVDJQBEXVPOQ-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50395080; PubChem:CID71449736
|
Local ready
Direct docking supported
|
|
E3L055034
BDB055034
|
4-(Isopropylamino)-4-oxobutanoic acid
CC(C)NC(=O)CCC(=O)O
|
C7H13NO3 159.185000 |
FZXVBVRIVMJAMV-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50395081; PubChem:CID245007
|
Local ready
Direct docking supported
|
|
E3L055035
BDB055035
|
4-[Dimethylamino(methyl)amino]-4-oxobutanoic acid
CN(C)N(C)C(=O)CCC(=O)O
|
C7H14N2O3 174.200000 |
AEZXJPDCQOVSHX-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50395082; PubChem:CID71451542
|
Local ready
Direct docking supported
|
|
E3L055036
BDB055036
|
Succinic acid monohydrazide
NNC(=O)CCC(=O)O
|
C4H8N2O3 132.119000 |
XRMBRQWBOICYRP-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50395083; PubChem:CID222878
|
Local ready
Direct docking supported
|
|
E3L055037
BDB055037
|
BDBM50395258
CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1nccs1
|
C19H24N2O3S2 392.546000 |
UNYRZPMXPQOISN-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50395258; PubChem:CID60202086
|
Local ready
Direct docking supported
|
|
E3L055038
BDB055038
|
BDBM50395259
CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1nccn1C
|
C20H27N3O3S 389.521000 |
FAWWCCJOYMOACZ-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50395259; PubChem:CID60202085
|
Local ready
Direct docking supported
|
|
E3L055039
BDB055039
|
BDBM50395260
COc1cc(CN(C(C)C)S(=O)(=O)c2ccccn2)cc2c1OC(C)(C)C=C2
|
C21H26N2O4S 402.516000 |
LREPTZOCUMWFMS-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50395260; PubChem:CID60201930
|
Local ready
Direct docking supported
|
|
E3L055040
BDB055040
|
BDBM50395261
CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccn1
|
C21H26N2O3S 386.517000 |
UHOZWOWPCJHMBX-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50395261; PubChem:CID60201926
|
Local ready
Direct docking supported
|