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BDBM297391 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-chloro-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol::US10112968, Compound A5

SMILES: CC(C)N(CC1OC([C@@H](O)C1O)n1cnc2c(N)ncnc12)C1CC(CCc2nc3cc(c(Cl)cc3[nH]2)C(F)(F)F)C1

InChI Key: InChIKey=FSBYBXLZXZDTLZ-AJRXPDTOSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 297391   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM297391
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((1r,3...)
Show SMILES CC(C)N(CC1OC([C@@H](O)C1O)n1cnc2c(N)ncnc12)C1CC(CCc2nc3cc(c(Cl)cc3[nH]2)C(F)(F)F)C1
Show InChI InChI=1S/C27H32ClF3N8O3/c1-12(2)38(9-19-22(40)23(41)26(42-19)39-11-35-21-24(32)33-10-34-25(21)39)14-5-13(6-14)3-4-20-36-17-7-15(27(29,30)31)16(28)8-18(17)37-20/h7-8,10-14,19,22-23,26,40-41H,3-6,9H2,1-2H3,(H,36,37)(H2,32,33,34)/t13?,14?,19?,22?,23-,26?/m0/s1
PDB
MMDB

KEGG

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Unless otherwise indicated, assays of DOT1L enzymatic activity were performed under balanced conditions (all substrates present at concentrations equ...


US Patent US10112968 (2018)

More data for this
Ligand-Target Pair