| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051481
BDB051481
|
BDBM50300416
CCCCCCCCCCCCSc1cc(=O)n(CCC(=O)OC)[s+]1[O-]
|
C19H33NO4S2 403.610000 |
GZZCNCOHGPBJKE-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300416; PubChem:CID44612938
|
Local ready
Direct docking supported
|
|
E3L051482
BDB051482
|
BDBM50300417
CCCCCCCCCCCCSc1cc(=O)n(C(C)(C)C)[s+]1[O-]
|
C19H35NO2S2 373.628000 |
XQOXCGDCQZWLSJ-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300417; PubChem:CID44612937
|
Local ready
Direct docking supported
|
|
E3L051483
BDB051483
|
2-Tert-butyl-5-chloroisothiazol-3(2H)-one 1-oxide
CC(C)(C)n1c(=O)cc(Cl)[s+]1[O-]
|
C7H10ClNO2S 207.682000 |
XPUSAGLDGBTNOA-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300418; PubChem:CID21879398
|
Local ready
Direct docking supported
|
|
E3L051484
BDB051484
|
BDBM50300419
COC(=O)CCn1c(=O)c(C)c(Cl)[s+]1[O-]
|
C8H10ClNO4S 251.691000 |
FJGJDKIRZPQKMT-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300419; PubChem:CID44613064
|
Local ready
Direct docking supported
|
|
E3L051485
BDB051485
|
BDBM50300420
COC(=O)CCn1c(=O)c(Cl)c(Cl)[s+]1[O-]
|
C7H7Cl2NO4S 272.109000 |
TUORGOWQFHVEGP-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300420; PubChem:CID44612936
|
Local ready
Direct docking supported
|
|
E3L051486
BDB051486
|
5-Chloro-2-ethyl-4-methylisothiazol-3(2H)-one-1-oxide
CCn1c(=O)c(C)c(Cl)[s+]1[O-]
|
C6H8ClNO2S 193.655000 |
KWXPAGNIWPNQJC-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300421; PubChem:CID44613063
|
Local ready
Direct docking supported
|
|
E3L051487
BDB051487
|
4,5-Dichloro-2-ethylisothiazol-3(2H)-one-1-oxide
CCn1c(=O)c(Cl)c(Cl)[s+]1[O-]
|
C5H5Cl2NO2S 214.073000 |
QNOIPGXCWKRRET-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300422; PubChem:CID44612935
|
Local ready
Direct docking supported
|
|
E3L051488
BDB051488
|
5-Chloro-2-ethylisothiazol-3(2H)-one-1-oxide
CCn1c(=O)cc(Cl)[s+]1[O-]
|
C5H6ClNO2S 179.628000 |
YWJZIPJAYYQVGH-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300423; PubChem:CID44612934
|
Local ready
Direct docking supported
|
|
E3L051489
BDB051489
|
BDBM50300424
COC(=O)CCn1sc(Cl)c(C)c1=O
|
C8H10ClNO3S 235.692000 |
YETKKDGVXTZNOU-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300424; PubChem:CID44613062
|
Local ready
Direct docking supported
|
|
E3L051490
BDB051490
|
BDBM50300425
COC(=O)CCn1sc(Cl)c(Cl)c1=O
|
C7H7Cl2NO3S 256.110000 |
IEOLCPFVHLQOJV-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300425; PubChem:CID45482638
|
Local ready
Direct docking supported
|
|
E3L051491
BDB051491
|
5-Chloro-2-ethyl-4-methylisothiazol-3(2H)-one
CCn1sc(Cl)c(C)c1=O
|
C6H8ClNOS 177.656000 |
PWQFDYMZDPXLEG-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300426; PubChem:CID44613061
|
Local ready
Direct docking supported
|
|
E3L051492
BDB051492
|
4,5-Dichloro-2-ethylisothiazol-3(2H)-one
CCn1sc(Cl)c(Cl)c1=O
|
C5H5Cl2NOS 198.074000 |
CULLRSWFYPMIDP-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300427; PubChem:CID12889060
|
Local ready
Direct docking supported
|
|
E3L051493
BDB051493
|
Quizartinib
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1
|
C29H32N6O4S 560.680000 |
CVWXJKQAOSCOAB-UHFFFAOYSA-N | O14965, O43172, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, U4/U6 small nuclear ribonucleoprotein Prp4, Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM50300690; PubChem:CID24889392
|
Local ready
Direct docking supported
|
|
E3L051494
BDB051494
|
BDBM50300711
NC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NOCCN12
|
C23H17F4N5O2 471.414000 |
SCODXNNXABJQIY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50300711; PubChem:CID24950594
|
Local ready
Direct docking supported
|
|
E3L051495
BDB051495
|
BDBM50300733
NC1=N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12
|
C24H19F4N5O 469.442000 |
OPSMDCTXTURNQW-HSZRJFAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50300733; PubChem:CID11532880
|
Local ready
Direct docking supported
|
|
E3L051496
BDB051496
|
Thyroxine
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
|
C15H11I4NO4 776.872000 |
XUIIKFGFIJCVMT-LBPRGKRZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50301375; PubChem:CID5819
|
Local ready
Direct docking supported
|
|
E3L051497
BDB051497
|
Grassystatin A
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O
|
C58H95N9O16 1174.445000 |
JZYWSTGTBRHGTL-BIXXXADNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50302107; PubChem:CID44255320
|
Local ready
Direct docking supported
|
|
E3L051498
BDB051498
|
BDBM50302895
CN[C@@H](C)C(=O)Nc1nc2c(s1)CCC2C(=O)NC1CCCc2ccccc21
|
C21H26N4O2S 398.532000 |
IDROMEXQJBMJKF-JQRITLKVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50302895; PubChem:CID45487863
|
Local ready
Direct docking supported
|
|
E3L051499
BDB051499
|
BDBM50302896
CN[C@@H](C)C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)N[C@@H]1CCCc2ccccc21
|
C21H26N4O2S 398.532000 |
IDROMEXQJBMJKF-APHBMKBZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50302896; PubChem:CID45102735
|
Local ready
Direct docking supported
|
|
E3L051500
BDB051500
|
BDBM50303716
COc1ccc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C
|
C22H20FN5O2 405.433000 |
IRDBIIRYCSZMEB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50303716; PubChem:CID11517020
|
Local ready
Direct docking supported
|