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BDBM362371 4-(7-amino-3-{(3R)-1- [(3,5-dimethylisoxazol-4- yl)carbonyl]piperidin-3-yl}- 1H-pyrazolo[3,4-c]pyridin-1-yl)- N-[4-(trifluoromethyl)pyridin- 2-yl]benzamide::US9834554, Example 15

SMILES: Cc1noc(C)c1C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12

InChI Key: InChIKey=NINBBVGQESNCJJ-TWYLJJHKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362371   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM362371
PNG
(4-(7-amino-3-{(3R)-1- [(3,5-dimethylisoxazol-4- yl...)
Show SMILES Cc1noc(C)c1C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12
Show InChI InChI=1/C30H27F3N8O3/c1-16-24(17(2)44-39-16)29(43)40-13-3-4-19(15-40)25-22-10-12-36-27(34)26(22)41(38-25)21-7-5-18(6-8-21)28(42)37-23-14-20(9-11-35-23)30(31,32)33/h5-12,14,19H,3-4,13,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
Article
US Patent
n/an/a 5.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9834554 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.095
More data for this
Ligand-Target Pair