| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053361
BDB053361
|
6-Fluoro-2-(4-methylphenyl)-1,2-benzothiazol-3-one
Cc1ccc(-n2sc3cc(F)ccc3c2=O)cc1
|
C14H10FNOS 259.305000 |
XQPPJOAKKIVUQW-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50346579; PubChem:CID1519964
|
Local ready
Direct docking supported
|
|
E3L053362
BDB053362
|
2-(4-Chloro-3-nitrophenyl)-1,2-thiazol-3-one
O=c1ccsn1-c1ccc(Cl)c([N+](=O)[O-])c1
|
C9H5ClN2O3S 256.670000 |
AERQPUOSDNRWKO-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50346580; PubChem:CID56676691
|
Local ready
Direct docking supported
|
|
E3L053363
BDB053363
|
BDBM50346581
COc1ccc(-n2sc3ncc(C)cc3c2=O)cc1
|
C14H12N2O2S 272.329000 |
JWDLSSYXAGGQHA-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50346581; PubChem:CID394798
|
Local ready
Direct docking supported
|
|
E3L053364
BDB053364
|
BDBM50346918
Cc1ccc(C(=O)NCCO)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O
|
C21H18ClF2N3O4 449.841000 |
XIPYKUQAZQIESI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50346918; PubChem:CID11683817
|
Local ready
Direct docking supported
|
|
E3L053365
BDB053365
|
BDBM50346986
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2c[nH]c3cccc(F)c23)C2CC2)cc1=O
|
C24H27FN4O2 422.504000 |
HAHYRGODQYUCPB-MOPGFXCFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346986; PubChem:CID44479809
|
Local ready
Direct docking supported
|
|
E3L053366
BDB053366
|
BDBM50346987
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccccc3)c3cccc(F)c23)C2CC2)cc1=O
|
C31H33FN4O2 512.629000 |
CQPCSTONSYLHIT-FTJBHMTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346987; PubChem:CID44479308
|
Local ready
Direct docking supported
|
|
E3L053367
BDB053367
|
BDBM50346988
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3cccc(F)c3)c3cccc(F)c23)C2CC2)cc1=O
|
C31H32F2N4O2 530.619000 |
FEIFEWBHMPMYHC-FTJBHMTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346988; PubChem:CID56670429
|
Local ready
Direct docking supported
|
|
E3L053368
BDB053368
|
BDBM50346989
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccc(F)cc3)c3cccc(F)c23)C2CC2)cc1=O
|
C31H32F2N4O2 530.619000 |
CNPDKXJXYWCXRN-FTJBHMTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346989; PubChem:CID56683890
|
Local ready
Direct docking supported
|
|
E3L053369
BDB053369
|
BDBM50346990
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3cccnc3)c3cccc(F)c23)C2CC2)cc1=O
|
C30H32FN5O2 513.617000 |
LSHIKKCNCJHIFH-RPBOFIJWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346990; PubChem:CID56663528
|
Local ready
Direct docking supported
|
|
E3L053370
BDB053370
|
BDBM50346991
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccncc3)c3cccc(F)c23)C2CC2)cc1=O
|
C30H32FN5O2 513.617000 |
HDHCROHOBIWWHX-RPBOFIJWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346991; PubChem:CID44479566
|
Local ready
Direct docking supported
|
|
E3L053371
BDB053371
|
BDBM50346992
COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1
|
C26H34ClN3O3 472.029000 |
YJNORDWQAVLCQD-PKTZIBPZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346992; PubChem:CID44481318
|
Local ready
Direct docking supported
|
|
E3L053372
BDB053372
|
BDBM50346993
COCCCc1cc(Cl)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1
|
C26H34ClN3O3 472.029000 |
KCBMYLVNMPXDOY-RPWUZVMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346993; PubChem:CID44481862
|
Local ready
Direct docking supported
|
|
E3L053373
BDB053373
|
BDBM50346994
COCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1
|
C25H31Cl2N3O3 492.447000 |
VWRLHSUMSWLCDO-RTWAWAEBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346994; PubChem:CID44481321
|
Local ready
Direct docking supported
|
|
E3L053374
BDB053374
|
BDBM50346995
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCCC#N)cc(Cl)c2Cl)C2CC2)cc1=O
|
C26H30Cl2N4O2 501.458000 |
SZTQWKJSSWHXLL-YADHBBJMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346995; PubChem:CID56673420
|
Local ready
Direct docking supported
|
|
E3L053375
BDB053375
|
BDBM50346996
Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCC#N)cc(Cl)c2Cl)C2CC2)cc1=O
|
C25H28Cl2N4O2 487.431000 |
SBUZQQVTBNOWMS-RTWAWAEBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346996; PubChem:CID44481861
|
Local ready
Direct docking supported
|
|
E3L053376
BDB053376
|
BDBM50346997
CC(=O)NCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1
|
C26H32Cl2N4O3 519.473000 |
BMQOLTKSGXBCPY-YADHBBJMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346997; PubChem:CID56666970
|
Local ready
Direct docking supported
|
|
E3L053377
BDB053377
|
BDBM50346998
COC(=O)NCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1
|
C26H32Cl2N4O4 535.472000 |
XYPPWOVMUJRBQJ-RTWAWAEBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346998; PubChem:CID56663526
|
Local ready
Direct docking supported
|
|
E3L053378
BDB053378
|
BDBM50346999
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccccc2)C2CC2)cc(OCCOC)c1
|
C29H40N2O4 480.649000 |
IREGTWXWZYXFIC-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50346999; PubChem:CID56659572
|
Local ready
Direct docking supported
|
|
E3L053379
BDB053379
|
BDBM50347000
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cccnc2)C2CC2)cc(OCCOC)c1
|
C28H39N3O4 481.637000 |
MNXUKHSUKAGVLU-SXOMAYOGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347000; PubChem:CID56676730
|
Local ready
Direct docking supported
|
|
E3L053380
BDB053380
|
BDBM50347001
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)cc(OCCOC)c1
|
C29H41N3O5 511.663000 |
IRWKEOYYPLGNSR-SXOMAYOGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50347001; PubChem:CID56668837
|
Local ready
Direct docking supported
|