Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 2
Ligand
BDBM296886
Substrate
n/a
Meas. Tech.
ChEMBL_2169252 (CHEMBL5054311)
IC50
1.7±n/a nM
Citation
 Gavai, AV; Norris, D; Delucca, G; Tortolani, D; Tokarski, JS; Dodd, D; O'Malley, D; Zhao, Y; Quesnelle, C; Gill, P; Vaccaro, W; Huynh, T; Ahuja, V; Han, WC; Mussari, C; Harikrishnan, L; Kamau, M; Poss, M; Sheriff, S; Yan, C; Marsilio, F; Menard, K; Wen, ML; Rampulla, R; Wu, DR; Li, J; Zhang, H; Li, P; Sun, D; Yip, H; Traeger, SC; Zhang, Y; Mathur, A; Zhang, H; Huang, C; Yang, Z; Ranasinghe, A; Everlof, G; Raghavan, N; Tye, CK; Wee, S; Hunt, JT; Vite, G; Westhouse, R; Lee, FY Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J Med Chem 64:14247-14265 (2021) [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:
BDBM296886
Synonyms:
2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl]propan-2-ol | US10112941, Example 1 | US10112941, Example 192
Type:
Small organic molecule
Emp. Form.:
C31H33N3O3
Mol. Mass.:
495.612
SMILES:
Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|
Structure:
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