Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 2 [364-436]
Ligand
BDBM50092316
Substrate
n/a
Meas. Tech.
FP Competitive Binding Assay (No.350)
Temperature
298.1500±n/a K
Ki
134±42 nM
Comments
extracted
Citation
 Wang, S; Ran, X; Zhao, Y; Yang, C; Liu, L; Bai, L; McEachern, D; Stuckey, J; Meagher, JL; Sun, D; Li, X; Zhou, B; Karatas, H; Luo, R; Chinnaiyan, A; Asangani, IA BET bromodomain inhibitors and therapeutic methods using the same US Patent  US9675697 Publication Date 6/13/2017 
Target
Name:
Bromodomain-containing protein 2 [364-436]
Synonyms:
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2) | Bromodomain-containing protein 2 (BRD2)(BD2) | BRD2_HUMAN | BRD2 | KIAA9001 | RING3
Type:
Protein
Mol. Mass.:
8615.14
Organism:
Human
Description:
BD2 (364-436 aa) of P25440
Residue:
73
Sequence:
KHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVV
  
Inhibitor
Name:
BDBM50092316
Synonyms:
US9675697, Cpd. No. 24 | CHEMBL3581658
Type:
Small organic molecule
Emp. Form.:
C23H23N5O2
Mol. Mass.:
401.19
SMILES:
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-4.24,6.66,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)|
Structure:
Search PDB for entries with ligand similarity: