| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007801
BDB007801
|
BDBM179431
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1
|
C30H36N4O3 500.643000 |
PUGFYZLLCRKSHQ-MHZLTWQESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM179431; PubChem:CID117683229
|
Local ready
Direct docking supported
|
|
E3L007802
BDB007802
|
BDBM179434
COc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc(NC2CCC2)n1
|
C23H30N4O3 410.518000 |
ZDDNQWSZIVPZHB-FQEVSTJZSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM179434; PubChem:CID117685870
|
Local ready
Direct docking supported
|
|
E3L007803
BDB007803
|
BDBM179436
CN(c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1)C1CCC1
|
C23H30N4O2 394.519000 |
HWJRYSNCIJEAAI-NRFANRHFSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM179436; PubChem:CID117683234
|
Local ready
Direct docking supported
|
|
E3L007804
BDB007804
|
BDBM179439
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(NC2CCCC2)c1
|
C23H30N4O2 394.519000 |
GDMQNDHVTFHNKD-NRFANRHFSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM179439; PubChem:CID117685872
|
Local ready
Direct docking supported
|
|
E3L007805
BDB007805
|
BDBM179441
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(NC2CCCCC2)c1
|
C24H32N4O2 408.546000 |
QHCDPTNBEHISOU-QFIPXVFZSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM179441; PubChem:CID117685868
|
Local ready
Direct docking supported
|
|
E3L007806
BDB007806
|
BDBM179481
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c12
|
C26H21N5O2 435.487000 |
AEANZCXROGPSBY-UHFFFAOYSA-N | O15164, Q09472, Q12830, Q92793, Q92831 | Nucleosome-remodeling factor subunit BPTF, Histone acetyltransferase KAT2B, CREB-binding protein, Transcription intermediary factor 1-alpha, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM179481; PubChem:CID90395752
|
Local ready
Direct docking supported
|
|
E3L007807
BDB007807
|
BDBM180860
CC1(C)CN(c2ccc(-c3oc(-c4c(F)ccc5[nH]ccc45)nc3C(N)=O)cc2)CCN1
|
C24H24FN5O2 433.487000 |
UEKBKVAQJQTBGW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180860; PubChem:CID71678045
|
Local ready
Direct docking supported
|
|
E3L007808
BDB007808
|
BDBM180861
Cc1ccc2[nH]ccc2c1-c1nc(C(N)=O)c(-c2ccc(N3CCNC(C)(C)C3)cc2)o1
|
C25H27N5O2 429.524000 |
XSLUZOLUJPDNGT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180861; PubChem:CID71678205
|
Local ready
Direct docking supported
|
|
E3L007809
BDB007809
|
BDBM180862
CC1(C)CN(c2ccc(-c3oc(-c4ccc(F)c5[nH]ccc45)nc3C(N)=O)cc2)CCN1
|
C24H24FN5O2 433.487000 |
BLEFJHDCLNVQNS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180862; PubChem:CID71678206
|
Local ready
Direct docking supported
|
|
E3L007810
BDB007810
|
BDBM180863
CC1(C)CN(c2ccc(-c3oc(-c4ccc(Cl)c5[nH]ccc45)nc3C(N)=O)cc2)CCN1
|
C24H24ClN5O2 449.942000 |
GGLRONBKQRZFOT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180863; PubChem:CID71678207
|
Local ready
Direct docking supported
|
|
E3L007811
BDB007811
|
BDBM180864
COc1ccc(-c2nc(C(N)=O)c(-c3ccc(N4CCNC(C)(C)C4)cc3)o2)c2cc[nH]c12
|
C25H27N5O3 445.523000 |
VGNWKKQVJCEBCJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180864; PubChem:CID71678208
|
Local ready
Direct docking supported
|
|
E3L007812
BDB007812
|
BDBM180865
Cc1cc(C)c2[nH]ccc2c1-c1nc(C(N)=O)c(-c2ccc(N3CCNC(C)(C)C3)cc2)o1
|
C26H29N5O2 443.551000 |
KRRYGFBABIBCHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180865; PubChem:CID71678209
|
Local ready
Direct docking supported
|
|
E3L007813
BDB007813
|
BDBM180866
Cc1cc(F)c2[nH]ccc2c1-c1nc(C(N)=O)c(-c2ccc(N3CCNC(C)(C)C3)cc2)o1
|
C25H26FN5O2 447.514000 |
OPWLMVVARKPWEA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180866; PubChem:CID71664645
|
Local ready
Direct docking supported
|
|
E3L007814
BDB007814
|
BDBM180867
Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(-c4ccc(N5CCNC(C)(C)C5)cc4)o3)c12
|
C25H27N5O2 429.524000 |
AYVATFZLZLWIPA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180867; PubChem:CID71678210
|
Local ready
Direct docking supported
|
|
E3L007815
BDB007815
|
BDBM180869
CCc1ccc(-c2nc(C(N)=O)c(-c3ccc(N4CCNC(C)(C)C4)cc3)o2)c2cc[nH]c12
|
C26H29N5O2 443.551000 |
DUKZDMUZDDNVFF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180869; PubChem:CID71678376
|
Local ready
Direct docking supported
|
|
E3L007816
BDB007816
|
BDBM180870
CC1(C)CN(c2ccc(-c3oc(-c4cccc5[nH]ccc45)nc3C(N)=O)cc2)CCN1
|
C24H25N5O2 415.497000 |
YFLNJIAXYKROBA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180870; PubChem:CID71678377
|
Local ready
Direct docking supported
|
|
E3L007817
BDB007817
|
BDBM180871
CC1(C)CN(c2ccc(-c3oc(-c4ccc(C(F)(F)F)c5[nH]ccc45)nc3C(N)=O)cc2)CCN1
|
C25H24F3N5O2 483.494000 |
IZDBEJJRNUSRIU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM180871; PubChem:CID71678378
|
Local ready
Direct docking supported
|
|
E3L007818
BDB007818
|
3-Methylcholanthrene
Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3
|
C21H16 268.359000 |
PPQNQXQZIWHJRB-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM181120; PubChem:CID1674
|
Local ready
Direct docking supported
|
|
E3L007819
BDB007819
|
BDBM184572
CN[C@@H](C)C(=O)Nc1ccc2c(n1)O[C@@](C)(c1ccccc1)C(=O)N2c1ccc(Cl)cc1
|
C24H23ClN4O3 450.926000 |
YHPQTSVDHYTNDA-OWJWWREXSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM184572; PubChem:CID70979959
|
Local ready
Direct docking supported
|
|
E3L007820
BDB007820
|
BDBM184574
CN[C@@H](C)C(=O)Nc1ccc2c(n1)OC(Cc1ccccc1)C(=O)N2
|
C18H20N4O3 340.383000 |
JHOGCKICQOYEMB-ZSOXZCCMSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM184574; PubChem:CID89970322
|
Local ready
Direct docking supported
|