| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059161
BDB059161
|
BDBM50525184
CCC(OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(-c2ccc(OC(C)(C)C(=O)O)cc2)no1
|
C33H35N3O9 617.655000 |
WSCPDRVLOQMVLP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50525184; PubChem:CID134216618
|
Local ready
Direct docking supported
|
|
E3L059162
BDB059162
|
BDBM50525307
C#CCSc1nc(Sc2nccn2C)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C21H19N5O3S2 453.549000 |
JVFMCTALUZQYMO-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525307; PubChem:CID155569516
|
Local ready
Direct docking supported
|
|
E3L059163
BDB059163
|
BDBM50525308
C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2cccc(Cl)c2)n1
|
C17H9ClN4S3 400.941000 |
IJWHZKLCCGLAPK-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525308; PubChem:CID155517623
|
Local ready
Direct docking supported
|
|
E3L059164
BDB059164
|
BDBM50525309
C#CCSc1nc(Sc2nnnn2CCN(C)C)c(C#N)c(-c2ccc(C)cc2)n1
|
C20H20N8S2 436.570000 |
GJDQHLDSDYMTEK-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525309; PubChem:CID155538374
|
Local ready
Direct docking supported
|
|
E3L059165
BDB059165
|
BDBM50525310
C#CCSc1nc(Sc2nnnn2CCN(C)C)c(C#N)c(-c2cccc(Cl)c2)n1
|
C19H17ClN8S2 456.988000 |
PEUFTIXWXRALOL-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525310; PubChem:CID155527185
|
Local ready
Direct docking supported
|
|
E3L059166
BDB059166
|
BDBM50525311
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C19H17N7O3S2 455.525000 |
PIZKDKNIAMFREC-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525311; PubChem:CID155519438
|
Local ready
Direct docking supported
|
|
E3L059167
BDB059167
|
BDBM50525312
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2ccccc2)n1
|
C16H11N7S2 365.447000 |
PZKMOUCYLCOUGF-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525312; PubChem:CID155566249
|
Local ready
Direct docking supported
|
|
E3L059168
BDB059168
|
BDBM50525313
C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2ccc(C)cc2)n1
|
C18H12N4S3 380.523000 |
MWSXYCQFZOWAIP-UHFFFAOYSA-N | Q6PH85, Q8IWE4, Q96GG9, Q9BTE7 | DCN1-like protein 3, DCN1-like protein 1, DCN1-like protein 2, DCN1-like protein 5 |
BindingDB, PubChem
BindingDB:BDBM50525313; PubChem:CID155568872
|
Local ready
Direct docking supported
|
|
E3L059169
BDB059169
|
BDBM50525314
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2cccc(Cl)c2)n1
|
C16H10ClN7S2 399.892000 |
JYLCBZMBFBSWLG-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525314; PubChem:CID155545872
|
Local ready
Direct docking supported
|
|
E3L059170
BDB059170
|
BDBM50525315
C#CCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(C#N)c(N2CCSCC2)n1
|
C21H22N4O3S2 442.566000 |
FDNHHFKQNQYEFV-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525315; PubChem:CID155518516
|
Local ready
Direct docking supported
|
|
E3L059171
BDB059171
|
BDBM50525316
C#CCSc1nc(Sc2ccccn2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C22H18N4O3S2 450.545000 |
ROUHBGMNMDWJII-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525316; PubChem:CID155546674
|
Local ready
Direct docking supported
|
|
E3L059172
BDB059172
|
BDBM50525317
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2ccc3oc(=O)ccc3c2)n1
|
C19H11N7O2S2 433.478000 |
ZHCOOXMPQJFPFS-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525317; PubChem:CID155514643
|
Local ready
Direct docking supported
|
|
E3L059173
BDB059173
|
BDBM50525318
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2c[nH]c3ccccc23)n1
|
C18H12N8S2 404.484000 |
OUJKCFKEJCWODX-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525318; PubChem:CID155528789
|
Local ready
Direct docking supported
|
|
E3L059174
BDB059174
|
BDBM50525319
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2ccc[nH]2)n1
|
C14H10N8S2 354.424000 |
PPTZQSQBKUNHBZ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525319; PubChem:CID155558301
|
Local ready
Direct docking supported
|
|
E3L059175
BDB059175
|
BDBM50525320
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2ccc(Cl)cc2)n1
|
C16H10ClN7S2 399.892000 |
ZGMXUTNNXVERIY-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525320; PubChem:CID155530044
|
Local ready
Direct docking supported
|
|
E3L059176
BDB059176
|
BDBM50525321
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2ccc(Br)cc2)n1
|
C16H10BrN7S2 444.343000 |
PTCSPZKYHJALTJ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525321; PubChem:CID155517699
|
Local ready
Direct docking supported
|
|
E3L059177
BDB059177
|
BDBM50525322
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2ccc(C)cc2)n1
|
C17H13N7S2 379.474000 |
DQEQZTQRLIKKCB-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525322; PubChem:CID155562674
|
Local ready
Direct docking supported
|
|
E3L059178
BDB059178
|
BDBM50525323
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2cccc(OC)c2)n1
|
C17H13N7OS2 395.473000 |
UTDKCRRNXADIMG-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525323; PubChem:CID155545204
|
Local ready
Direct docking supported
|
|
E3L059179
BDB059179
|
BDBM50525324
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2ccc(Cl)c(Cl)c2)n1
|
C16H9Cl2N7S2 434.337000 |
MOWCHUQNHZGMRH-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525324; PubChem:CID155537942
|
Local ready
Direct docking supported
|
|
E3L059180
BDB059180
|
BDBM50525325
C#CCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(C#N)c(N2CCNCC2)n1
|
C21H23N5O3S 425.514000 |
OUFJUSKEZCVXOD-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525325; PubChem:CID155538692
|
Local ready
Direct docking supported
|