Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 2
Ligand
BDBM50459820
Substrate
n/a
Meas. Tech.
ChEMBL_1767165 (CHEMBL4219277)
IC50
224±n/a nM
Citation
 Zhou, B; Hu, J; Xu, F; Chen, Z; Bai, L; Fernandez-Salas, E; Lin, M; Liu, L; Yang, CY; Zhao, Y; McEachern, D; Przybranowski, S; Wen, B; Sun, D; Wang, S Discovery of a Small-Molecule Degrader of Bromodomain and Extra-Terminal (BET) Proteins with Picomolar Cellular Potencies and Capable of Achieving Tumor Regression. J Med Chem 61:462-481 (2018) [PubMed]  Article 
Target
Name:
Bromodomain-containing protein 2
Synonyms:
Bromodomain-containing protein 2 | Bromodomain-containing protein 2 (BRD2) | BRD2_HUMAN | BRD2 | KIAA9001 | RING3 | Bromodomain and extra-terminal motif (BET)
Type:
Protein
Mol. Mass.:
88085.95
Organism:
Human
Description:
P25440
Residue:
801
Sequence:
MLQNVTPHNKLPGEGNAGLLGLGPEAAAPGKRIRKPSLLYEGFESPTMASVPALQLTPANPPPPEVSNPKKPGRVTNQLQYLHKVVMKALWKHQFAWPFRQPVDAVKLGLPDYHKIIKQPMDMGTIKRRLENNYYWAASECMQDFNTMFTNCYIYNKPTDDIVLMAQTLEKIFLQKVASMPQEEQELVVTIPKNSHKKGAKLAALQGSVTSAHQVPAVSSVSHTALYTPPPEIPTTVLNIPHPSVISSPLLKSLHSAGPPLLAVTAAPPAQPLAKKKGVKRKADTTTPTPTAILAPGSPASPPGSLEPKAARLPPMRRESGRPIKPPRKDLPDSQQQHQSSKKGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPDEPLEPGPLPVSTAMPPGLAKSSSESSSEESSSESSSEEEEEEDEEDEEEEESESSDSEEERAHRLAELQEQLRAVHEQLAALSQGPISKPKRKREKKEKKKKRKAEKHRGRAGADEDDKGPRAPRPPQPKKSKKASGSGGGSAALGPSGFGPSGGSGTKLPKKATKTAPPALPTGYDSEEEEESRPMSYDEKRQLSLDINKLPGEKLGRVVHIIQAREPSLRDSNPEEIEIDFETLKPSTLRELERYVLSCLRKKPRKPYTIKKPVGKTKEELALEKKRELEKRLQDVSGQLNSTKKPPKKANEKTESSSAQQVAVSRLSASSSSSDSSSSSSSSSSSDTSDSDSG
  
Inhibitor
Name:
BDBM50459820
Synonyms:
CHEMBL4228904
Type:
Small organic molecule
Emp. Form.:
C18H17N5O3
Mol. Mass.:
351.37
SMILES:
CNC(=O)c1ncc2c(n1)[nH]c1cc(-c3c(C)noc3C)c(OC)cc21 |(37.06,-38.62,;37.68,-37.21,;36.77,-35.97,;37.39,-34.56,;35.24,-36.14,;34.32,-34.9,;32.8,-35.07,;32.19,-36.47,;33.1,-37.71,;34.62,-37.54,;32.2,-38.97,;30.73,-38.5,;29.39,-39.28,;28.06,-38.51,;26.73,-39.28,;26.57,-40.81,;27.71,-41.84,;25.06,-41.13,;24.29,-39.8,;25.32,-38.65,;25,-37.15,;28.06,-36.96,;26.73,-36.19,;26.73,-34.65,;29.39,-36.19,;30.72,-36.95,)|
Structure:
Search PDB for entries with ligand similarity: