Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 3
Ligand
BDBM297163
Substrate
n/a
Meas. Tech.
ChEMBL_2212778 (CHEMBL5125727)
IC50
1.6±n/a nM
Citation
Hill, MD; Fang, H; Norris, D; Delucca, GV; Huang, H; DeBenedetto, M; Quesnelle, C; Schmitz, WD; Tokarski, JS; Sheriff, S; Yan, C; Fanslau, C; Haarhoff, Z; Huang, C; Kramer, M; Madari, S; Menard, K; Monereau, L; Morrison, J; Raghavan, N; Shields, EE; Simmermacher-Mayer, J; Sinz, M; Tye, CK; Westhouse, R; Xie, C; Zhang, H; Zhang, L; Zvyaga, T; Lee, F; Gavai, AV; Degnan, AP Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties. ACS Med Chem Lett 13:1165-1171 (2022) [PubMed]
More Info.:
Target
Name:
Bromodomain-containing protein 3
Synonyms:
BRD3 | BRD3_HUMAN | Bromodomain and extra-terminal motif (BET) | Bromodomain-containing protein 3 | Bromodomain-containing protein 3 (BRD3) | KIAA0043 | RING3-like protein | RING3L
Type:
Protein
Mol. Mass.:
79571.81
Organism:
Homo sapiens (Human)
Description:
Q15059
Residue:
726
Sequence:
MSTATTVAPAGIPATPGPVNPPPPEVSNPSKPGRKTNQLQYMQNVVVKTLWKHQFAWPFYQPVDAIKLNLPDYHKIIKNPMDMGTIKKRLENNYYWSASECMQDFNTMFTNCYIYNKPTDDIVLMAQALEKIFLQKVAQMPQEEVELLPPAPKGKGRKPAAGAQSAGTQQVAAVSSVSPATPFQSVPPTVSQTPVIAATPVPTITANVTSVPVPPAAAPPPPATPIVPVVPPTPPVVKKKGVKRKADTTTPTTSAITASRSESPPPLSDPKQAKVVARRESGGRPIKPPKKDLEDGEVPQHAGKKGKLSEHLRYCDSILREMLSKKHAAYAWPFYKPVDAEALELHDYHDIIKHPMDLSTVKRKMDGREYPDAQGFAADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPVEAPALPAPAAPMVSKGAESSRSSEESSSDSGSSDSEEERATRLAELQEQLKAVHEQLAALSQAPVNKPKKKKEKKEKEKKKKDKEKEKEKHKVKAEEEKKAKVAPPAKQAQQKKAPAKKANSTTTAGRQLKKGGKQASASYDSEEEEEGLPMSYDEKRQLSLDINRLPGEKLGRVVHIIQSREPSLRDSNPDEIEIDFETLKPTTLRELERYVKSCLQKKQRKPFSASGKKQAAKSKEELAQEKKKELEKRLQDVSGQLSSSKKPARKEKPGSAPSGGPSRLSSSSSSESGSSSSSGSSSDSSDSE
Inhibitor
Name:
BDBM297163
Synonyms:
2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | US10112941, Example 279
Type:
Small organic molecule
Emp. Form.:
C30H32FN5O2
Mol. Mass.:
513.6058
SMILES:
Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r|