| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049701
BDB049701
|
4-Methoxymethyl-2-phenyl-isothiazol-3(2H)-one
COCc1csn(-c2ccccc2)c1=O
|
C11H11NO2S 221.281000 |
AOZSJVIPZPGRGP-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247589; PubChem:CID44564013
|
Local ready
Direct docking supported
|
|
E3L049702
BDB049702
|
4-Azidomethyl-2-phenyl-isothiazol-3(2H)-one
[N-]=[N+]=NCc1csn(-c2ccccc2)c1=O
|
C10H8N4OS 232.268000 |
PCXKEQLWIKTHCG-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247590; PubChem:CID44564014
|
Local ready
Direct docking supported
|
|
E3L049703
BDB049703
|
5-chloro-4-methyl-2-phenylisothiazol-3(2H)-one
Cc1c(Cl)sn(-c2ccccc2)c1=O
|
C10H8ClNOS 225.700000 |
JNCDGOSPGVCRPQ-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247600; PubChem:CID19876167
|
Local ready
Direct docking supported
|
|
E3L049704
BDB049704
|
4-Methyl-5-methoxy-2-phenyl-isothiazol-3(2H)-one
COc1sn(-c2ccccc2)c(=O)c1C
|
C11H11NO2S 221.281000 |
BVDNZBXHYHKKSR-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247614; PubChem:CID44564054
|
Local ready
Direct docking supported
|
|
E3L049705
BDB049705
|
2-(3,4,5-trifluorophenyl)isothiazol-3(2H)-one
O=c1ccsn1-c1cc(F)c(F)c(F)c1
|
C9H4F3NOS 231.198000 |
XIAFGGOZQFZYQD-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247615; PubChem:CID44564055
|
Local ready
Direct docking supported
|
|
E3L049706
BDB049706
|
2-(3-chloro-2-fluorophenyl)isothiazol-3(2H)-one
O=c1ccsn1-c1cccc(Cl)c1F
|
C9H5ClFNOS 229.663000 |
FLVXYAGCEOJNQC-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247616; PubChem:CID615185
|
Local ready
Direct docking supported
|
|
E3L049707
BDB049707
|
BDBM50247637
O=C(O)CC(C(=O)O)N1C(=S)SC/C1=C1/C(=O)Nc2ccc(Br)cc21
|
C15H11BrN2O5S2 443.300000 |
XGWVFNPSMDKMPF-BENRWUELSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50247637; PubChem:CID137640382
|
Local ready
Direct docking supported
|
|
E3L049708
BDB049708
|
5-Chloro-2-ethylisothiazol-3(2H)-one
CCn1sc(Cl)cc1=O
|
C5H6ClNOS 163.629000 |
MMONDPHQMXRZDG-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247820; PubChem:CID10197845
|
Local ready
Direct docking supported
|
|
E3L049709
BDB049709
|
5-Chloro-2-pentylisothiazol-3(2H)-one
CCCCCn1sc(Cl)cc1=O
|
C8H12ClNOS 205.710000 |
IBVIJMZIFISCOI-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247837; PubChem:CID44564426
|
Local ready
Direct docking supported
|
|
E3L049710
BDB049710
|
Methyl 2-(5-chloro-3-oxoisothiazol-2(3H)-yl)acetate
COC(=O)Cn1sc(Cl)cc1=O
|
C6H6ClNO3S 207.638000 |
RRMXIZKTZLFIHZ-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247838; PubChem:CID44564427
|
Local ready
Direct docking supported
|
|
E3L049711
BDB049711
|
Methyl 3-(5-chloro-3-oxoisothiazol-2(3H)-yl)propanoate
COC(=O)CCn1sc(Cl)cc1=O
|
C7H8ClNO3S 221.665000 |
IUQRHPPJEZXEGX-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247839; PubChem:CID42609916
|
Local ready
Direct docking supported
|
|
E3L049712
BDB049712
|
5-Chloro-2-(3-methoxycarbonylpropyl)-3-isothiazolone
COC(=O)CCCn1sc(Cl)cc1=O
|
C8H10ClNO3S 235.692000 |
MHGPTTDXFIMHMY-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247840; PubChem:CID19425177
|
Local ready
Direct docking supported
|
|
E3L049713
BDB049713
|
Methyl 4-(5-chloro-3-oxoisothiazol-2(3H)-yl)pentanoate
COC(=O)CCCCn1sc(Cl)cc1=O
|
C9H12ClNO3S 249.719000 |
VQNCFSGNWCSLCN-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247841; PubChem:CID44564428
|
Local ready
Direct docking supported
|
|
E3L049714
BDB049714
|
Methyl 6-(5-chloro-3-oxoisothiazol-2(3H)-yl)hexanoate
COC(=O)CCCCCn1sc(Cl)cc1=O
|
C10H14ClNO3S 263.746000 |
INYRXSOKQIQGSK-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247842; PubChem:CID44564429
|
Local ready
Direct docking supported
|
|
E3L049715
BDB049715
|
Ethyl 3-(5-chloro-3-oxoisothiazol-2(3H)-yl)propanoate
CCOC(=O)CCn1sc(Cl)cc1=O
|
C8H10ClNO3S 235.692000 |
MCDMLQPEGXHNEI-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247843; PubChem:CID44564430
|
Local ready
Direct docking supported
|
|
E3L049716
BDB049716
|
BDBM50247844
O=c1cc(Cl)sn1-c1ccc(F)c(Cl)c1
|
C9H4Cl2FNOS 264.108000 |
JIMMGDUXMFQDMQ-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247844; PubChem:CID44564431
|
Local ready
Direct docking supported
|
|
E3L049717
BDB049717
|
BDBM50247845
O=C(NCCn1sc(Cl)cc1=O)OCc1ccccc1
|
C13H13ClN2O3S 312.778000 |
BFHUPJVBMNRYFJ-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247845; PubChem:CID44564432
|
Local ready
Direct docking supported
|
|
E3L049718
BDB049718
|
2-Ethyl-3-isothiazolone
CCn1sccc1=O
|
C5H7NOS 129.184000 |
ASKFWACWQQZSSS-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247846; PubChem:CID10148995
|
Local ready
Direct docking supported
|
|
E3L049719
BDB049719
|
2-pentylisothiazol-3(2H)-one
CCCCCn1sccc1=O
|
C8H13NOS 171.265000 |
LVKLRHZXNQDZQP-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247864; PubChem:CID13017478
|
Local ready
Direct docking supported
|
|
E3L049720
BDB049720
|
Methyl 3-(3-Oxo-2-isothiazolyl)propanoate
COC(=O)CCn1sccc1=O
|
C7H9NO3S 187.220000 |
YBWFJOGNQAGCGM-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50247865; PubChem:CID13017443
|
Local ready
Direct docking supported
|