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Target
Bromodomain-containing protein 2
Ligand
BDBM50397671
Substrate
n/a
Meas. Tech.
ChEMBL_873616 (CHEMBL2187905)
IC50
1995.26±n/a nM
Citation
 Seal, J; Lamotte, Y; Donche, F; Bouillot, A; Mirguet, O; Gellibert, F; Nicodeme, E; Krysa, G; Kirilovsky, J; Beinke, S; McCleary, S; Rioja, I; Bamborough, P; Chung, CW; Gordon, L; Lewis, T; Walker, AL; Cutler, L; Lugo, D; Wilson, DM; Witherington, J; Lee, K; Prinjha, RK Identification of a novel series of BET family bromodomain inhibitors: binding mode and profile of I-BET151 (GSK1210151A). Bioorg Med Chem Lett 22:2968-72 (2012) [PubMed]  Article 
Target
Name:
Bromodomain-containing protein 2
Synonyms:
BRD2 | BRD2_HUMAN | Bromodomain and extra-terminal motif (BET) | Bromodomain-containing protein 2 | Bromodomain-containing protein 2 (BRD2) | KIAA9001 | RING3
Type:
Protein
Mol. Mass.:
88085.95
Organism:
Homo sapiens (Human)
Description:
P25440
Residue:
801
Sequence:
MLQNVTPHNKLPGEGNAGLLGLGPEAAAPGKRIRKPSLLYEGFESPTMASVPALQLTPANPPPPEVSNPKKPGRVTNQLQYLHKVVMKALWKHQFAWPFRQPVDAVKLGLPDYHKIIKQPMDMGTIKRRLENNYYWAASECMQDFNTMFTNCYIYNKPTDDIVLMAQTLEKIFLQKVASMPQEEQELVVTIPKNSHKKGAKLAALQGSVTSAHQVPAVSSVSHTALYTPPPEIPTTVLNIPHPSVISSPLLKSLHSAGPPLLAVTAAPPAQPLAKKKGVKRKADTTTPTPTAILAPGSPASPPGSLEPKAARLPPMRRESGRPIKPPRKDLPDSQQQHQSSKKGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPDEPLEPGPLPVSTAMPPGLAKSSSESSSEESSSESSSEEEEEEDEEDEEEEESESSDSEEERAHRLAELQEQLRAVHEQLAALSQGPISKPKRKREKKEKKKKRKAEKHRGRAGADEDDKGPRAPRPPQPKKSKKASGSGGGSAALGPSGFGPSGGSGTKLPKKATKTAPPALPTGYDSEEEEESRPMSYDEKRQLSLDINKLPGEKLGRVVHIIQAREPSLRDSNPEEIEIDFETLKPSTLRELERYVLSCLRKKPRKPYTIKKPVGKTKEELALEKKRELEKRLQDVSGQLNSTKKPPKKANEKTESSSAQQVAVSRLSASSSSSDSSSSSSSSSSSDTSDSDSG
  
Inhibitor
Name:
BDBM50397671
Synonyms:
CHEMBL2017289
Type:
Small organic molecule
Emp. Form.:
C24H22N4O3
Mol. Mass.:
414.4565
SMILES:
COc1cc2c3n([C@@H](C)c4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wU:7.7,(17.14,-40.4,;17.14,-41.94,;18.48,-42.71,;19.81,-41.94,;21.14,-42.7,;22.47,-41.93,;22.77,-40.43,;22,-39.09,;20.46,-39.09,;22.77,-37.76,;24.31,-37.76,;25.08,-36.43,;24.31,-35.1,;22.76,-35.1,;22,-36.43,;24.3,-40.25,;25.05,-38.91,;24.93,-41.65,;23.8,-42.68,;23.81,-44.24,;22.48,-45.01,;21.14,-44.24,;19.81,-45.02,;18.48,-44.25,;17.14,-45.02,;17.11,-46.56,;18.33,-47.49,;15.63,-47.01,;14.75,-45.74,;15.68,-44.52,;15.24,-43.04,)|
Structure:
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