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BDBM362394 4-{7-amino-3-[(3R)-1- (cyclopropylcarbonyl)piperidin-3-yl]- 1H-pyrazolo[3,4-c]pyridin-1- yl}-N-[4-(trifluoromethyl)pyridin- 2-yl]benzamide::US9834554, Example 24

SMILES: Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1

InChI Key: InChIKey=AQFSPIFMATZHMJ-LGWFVXIRNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 362394   
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))
BDBM362394
PNG
(4-{7-amino-3-[(3R)-1- (cyclopropylcarbonyl)piperid...)
Show SMILES Nc1nccc2c(nn(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1
Show InChI InChI=1/C28H26F3N7O2/c29-28(30,31)19-9-11-33-22(14-19)35-26(39)16-5-7-20(8-6-16)38-24-21(10-12-34-25(24)32)23(36-38)18-2-1-13-37(15-18)27(40)17-3-4-17/h5-12,14,17-18H,1-4,13,15H2,(H2,32,34)(H,33,35,39)/t18-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem
Article
US Patent
n/an/a 0.860n/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