| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059181
BDB059181
|
BDBM50525326
C#CCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(C#N)c(N2CCOCC2)n1
|
C21H22N4O4S 426.498000 |
CFRNUWNYMPPPCX-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525326; PubChem:CID155563327
|
Local ready
Direct docking supported
|
|
E3L059182
BDB059182
|
BDBM50525327
C#CCSc1nc(Sc2nnnn2CCN(C)C)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C22H24N8O3S2 512.621000 |
UOBABZRLIXTRAG-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525327; PubChem:CID155549675
|
Local ready
Direct docking supported
|
|
E3L059183
BDB059183
|
BDBM50525328
C#CCSc1nc(Sc2nc[nH]n2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C19H16N6O3S2 440.510000 |
CEFLGOUAAOWJSF-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525328; PubChem:CID155558063
|
Local ready
Direct docking supported
|
|
E3L059184
BDB059184
|
BDBM50525329
C#CCSc1nc(Sc2ccc(N)s2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C21H18N4O3S3 470.601000 |
YMXSOCXLJKNMSH-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525329; PubChem:CID155557954
|
Local ready
Direct docking supported
|
|
E3L059185
BDB059185
|
BDBM50525330
C#CCSc1nc(Sc2nnc(C)s2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C20H17N5O3S3 471.589000 |
VGWHMUNIOIHSIN-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525330; PubChem:CID155521023
|
Local ready
Direct docking supported
|
|
E3L059186
BDB059186
|
BDBM50525331
C#CCSc1nc(Sc2nncs2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C19H15N5O3S3 457.562000 |
INLDMUFKKIRZDH-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525331; PubChem:CID155538332
|
Local ready
Direct docking supported
|
|
E3L059187
BDB059187
|
BDBM50525332
C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C20H16N4O3S3 456.574000 |
UMFGYTRZVQGWNF-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525332; PubChem:CID155546102
|
Local ready
Direct docking supported
|
|
E3L059188
BDB059188
|
BDBM50525333
C#CCSc1nc(Sc2nc(C)c(C)s2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C22H20N4O3S3 484.628000 |
NMDZBAZZWXZARA-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525333; PubChem:CID155516973
|
Local ready
Direct docking supported
|
|
E3L059189
BDB059189
|
BDBM50525334
C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2ccc(Cl)cc2)n1
|
C17H9ClN4S3 400.941000 |
RZWYLWWXGROEFD-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525334; PubChem:CID155534412
|
Local ready
Direct docking supported
|
|
E3L059190
BDB059190
|
BDBM50525335
C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2ccc(Br)cc2)n1
|
C17H9BrN4S3 445.392000 |
YBYDTCHBESPUCE-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525335; PubChem:CID155524037
|
Local ready
Direct docking supported
|
|
E3L059191
BDB059191
|
BDBM50525336
C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2ccc(Cl)c(Cl)c2)n1
|
C17H8Cl2N4S3 435.386000 |
AGYDFKMUFFKWDW-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525336; PubChem:CID155546997
|
Local ready
Direct docking supported
|
|
E3L059192
BDB059192
|
BDBM50525337
C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2ccc3oc(=O)ccc3c2)n1
|
C20H10N4O2S3 434.527000 |
MNNCUNTYMFRLIG-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525337; PubChem:CID155521689
|
Local ready
Direct docking supported
|
|
E3L059193
BDB059193
|
BDBM50525338
C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2ccncc2)n1
|
C16H9N5S3 367.484000 |
VQLSGGSBTNIXEJ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525338; PubChem:CID155568418
|
Local ready
Direct docking supported
|
|
E3L059194
BDB059194
|
BDBM50525339
C#CCSc1nc(Sc2nnnn2CCN(C)C)c(C#N)c(-c2ccc(Cl)c(Cl)c2)n1
|
C19H16Cl2N8S2 491.433000 |
FBSYSAKJNXLSEQ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525339; PubChem:CID155516980
|
Local ready
Direct docking supported
|
|
E3L059195
BDB059195
|
BDBM50525340
C#CCSc1nc(Sc2nnnn2CCN(C)C)c(C#N)c(-c2ccc3oc(=O)ccc3c2)n1
|
C22H18N8O2S2 490.574000 |
WGDNPPLGSJFDRR-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525340; PubChem:CID155531559
|
Local ready
Direct docking supported
|
|
E3L059196
BDB059196
|
BDBM50525341
C=CCSc1nc(Sc2nccs2)c(C#N)c(-c2ccc(Cl)cc2)n1
|
C17H11ClN4S3 402.957000 |
FQNUUKRNASDARM-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525341; PubChem:CID155547206
|
Local ready
Direct docking supported
|
|
E3L059197
BDB059197
|
BDBM50525342
N#Cc1c(Sc2nccs2)nc(SCc2cn(Cc3ccccc3)nn2)nc1-c1ccc(Cl)cc1
|
C24H16ClN7S3 534.095000 |
RUVNQCCAHODAIY-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525342; PubChem:CID155536549
|
Local ready
Direct docking supported
|
|
E3L059198
BDB059198
|
BDBM50525343
C=CC(=O)Nc1ccccc1CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCN(C(C)CCC)CC1
|
C28H35F3N4O2 516.608000 |
YLLQDHVRMFOGBL-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525343; PubChem:CID126711172
|
Local ready
Direct docking supported
|
|
E3L059199
BDB059199
|
BDBM50525344
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2ccc(C(C)C)cc2)n1
|
C19H17N7S2 407.528000 |
XMRABUIVKYDWIU-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525344; PubChem:CID155518378
|
Local ready
Direct docking supported
|
|
E3L059200
BDB059200
|
BDBM50525345
C#CCSc1nc(Nc2nnnn2C)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C19H18N8O3S 438.473000 |
XYFITTLYBMACFI-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525345; PubChem:CID155538551
|
Local ready
Direct docking supported
|