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BDBM267536 (R)-4-(8-amino-3-(1-(6-cyanonicotinoyl)piperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-cyclopropylpyridin-2-yl)benzamide . ::US9718828, Example, 118

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)c1cc(cs1)C#N

InChI Key: InChIKey=XGKKXGADCCMWBJ-XMMPIXPASA-N

Data: 1 EC50

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 = 267536   
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))
BDBM267536
PNG
((R)-4-(8-amino-3-(1-(6-cyanonicotinoyl)piperidin-3...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)c1cc(cs1)C#N |r|
Show InChI InChI=1S/C32H28N8O2S/c33-16-19-14-25(43-18-19)32(42)39-12-1-2-24(17-39)30-38-27(28-29(34)36-11-13-40(28)30)21-5-7-22(8-6-21)31(41)37-26-15-23(9-10-35-26)20-3-4-20/h5-11,13-15,18,20,24H,1-4,12,17H2,(H2,34,36)(H,35,37,41)/t24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<10n/an/a7.225



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair