| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000821
BDB000821
|
5-bromo-N-(3,5-dimethylphenyl)-1,3-thiazol-2-amine
Cc1cc(C)cc(Nc2ncc(Br)s2)c1
|
C11H11BrN2S 283.194000 |
DNSMLRIZMWJTFY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25708; PubChem:CID25093339
|
Local ready
Direct docking supported
|
|
E3L000822
BDB000822
|
BDBM25709
FC(F)(F)c1cc(Nc2ncc(Br)s2)cc(C(F)(F)F)c1
|
C11H5BrF6N2S 391.134000 |
AKROENBNDUQJEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25709; PubChem:CID25093340
|
Local ready
Direct docking supported
|
|
E3L000823
BDB000823
|
2-Thiazolamine, 5-bromo-
Nc1ncc(Br)s1
|
C3H3BrN2S 179.042000 |
ARHCLXWELPFVFQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25710; PubChem:CID43600
|
Local ready
Direct docking supported
|
|
E3L000824
BDB000824
|
2-Acetamido-5-bromo-1,3-thiazole
CC(=O)Nc1ncc(Br)s1
|
C5H5BrN2OS 221.079000 |
LHWHLINDRWCHSN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25711; PubChem:CID350260
|
Local ready
Direct docking supported
|
|
E3L000825
BDB000825
|
N-(5-bromo-1,3-thiazol-2-yl)benzamide
O=C(Nc1ncc(Br)s1)c1ccccc1
|
C10H7BrN2OS 283.150000 |
RNOLMRKXWGXDQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25712; PubChem:CID16068636
|
Local ready
Direct docking supported
|
|
E3L000826
BDB000826
|
N-(5-bromo-1,3-thiazol-2-yl)-N'-phenylurea
O=C(Nc1ccccc1)Nc1ncc(Br)s1
|
C10H8BrN3OS 298.165000 |
JJDOYZXRKIFULW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25713; PubChem:CID9948168
|
Local ready
Direct docking supported
|
|
E3L000827
BDB000827
|
5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine
Brc1cnc(NCCc2ccccc2)s1
|
C11H11BrN2S 283.194000 |
GDGHWVAVROMLFA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25714; PubChem:CID25093341
|
Local ready
Direct docking supported
|
|
E3L000828
BDB000828
|
5-bromo-N-(naphthalen-1-yl)-1,3-thiazol-2-amine
Brc1cnc(Nc2cccc3ccccc23)s1
|
C13H9BrN2S 305.200000 |
RVZJJWBOMQYHDF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25715; PubChem:CID16068849
|
Local ready
Direct docking supported
|
|
E3L000829
BDB000829
|
5-bromo-N-(pyridin-3-yl)thiazol-2-amine
Brc1cnc(Nc2cccnc2)s1
|
C8H6BrN3S 256.128000 |
YCEGXEAMIJRCDM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25717; PubChem:CID16068739
|
Local ready
Direct docking supported
|
|
E3L000830
BDB000830
|
5-bromo-N-(pyridin-4-yl)-1,3-thiazol-2-amine
Brc1cnc(Nc2ccncc2)s1
|
C8H6BrN3S 256.128000 |
XSUYPGFRANCQTP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25718; PubChem:CID16068738
|
Local ready
Direct docking supported
|
|
E3L000831
BDB000831
|
BDBM25720
N#Cc1cnc(Nc2ccc(CN3CCOCC3)cn2)s1
|
C14H15N5OS 301.375000 |
VLHLBQJLKNFDBH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25720; PubChem:CID25093342
|
Local ready
Direct docking supported
|
|
E3L000832
BDB000832
|
BDBM25721
CNC(=O)N1CCN(Cc2ccc(Nc3ncc(C#N)s3)nc2)CC1
|
C16H19N7OS 357.443000 |
BUJZOJYQGPNMOP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25721; PubChem:CID25093343
|
Local ready
Direct docking supported
|
|
E3L000833
BDB000833
|
BDBM25722
CN1CCN(Cc2ccc(Nc3ncc(C#N)s3)nc2)CC1
|
C15H18N6S 314.418000 |
FFWLWDCPCOHXKN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25722; PubChem:CID25093344
|
Local ready
Direct docking supported
|
|
E3L000834
BDB000834
|
BDBM25723
CCN1CCN(Cc2ccc(Nc3ncc(C#N)s3)nc2)CC1
|
C16H20N6S 328.445000 |
BDRGERWUEALEAQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25723; PubChem:CID25093345
|
Local ready
Direct docking supported
|
|
E3L000835
BDB000835
|
BDBM25724
N#Cc1cnc(Nc2ccc(CN3CCN(CCO)CC3)cn2)s1
|
C16H20N6OS 344.444000 |
JRCSXNCOIGABEA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25724; PubChem:CID25093346
|
Local ready
Direct docking supported
|
|
E3L000836
BDB000836
|
BDBM25919
Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1
|
C14H17N5 255.325000 |
PSPFQEBFYXJZEV-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1, Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM25919; PubChem:CID9813758
|
Local ready
Direct docking supported
|
|
E3L000837
BDB000837
|
N-Oxalylglycine
O=C(O)CNC(=O)C(=O)O
|
C4H5NO5 147.086000 |
BIMZLRFONYSTPT-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5D, Lysine-specific demethylase 5C, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM26106; PubChem:CID3080614
|
Local ready
Direct docking supported
|
|
E3L000838
BDB000838
|
2,4-Pyridinedicarboxylic acid
O=C(O)c1ccnc(C(=O)O)c1
|
C7H5NO4 167.120000 |
MJIVRKPEXXHNJT-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5D, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM26113; PubChem:CID10365
|
Local ready
Direct docking supported
|
|
E3L000839
BDB000839
|
BDBM26119
COC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
|
C13H10N2O4 258.233000 |
GDIPAQOCWAFNMZ-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM26119; PubChem:CID25138011
|
Local ready
Direct docking supported
|
|
E3L000840
BDB000840
|
Catechol
Oc1ccccc1O
|
C6H6O2 110.112000 |
YCIMNLLNPGFGHC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM26188; PubChem:CID289
|
Local ready
Direct docking supported
|