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BDBM267513 4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1,5-a]pyrazin-1-yl)-N-(4-cyanopyridin-2-yl)benzamide::US9718828, Example, 42

SMILES: CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@@H](CC3)OC)n3ccnc(N)c23)c1

InChI Key: InChIKey=FSKCBJSJSQJTBE-GRGXKFILSA-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 = 267513   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM267513
PNG
(4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@@H](CC3)OC)n3ccnc(N)c23)c1
Show InChI InChI=1S/C28H32N6O2/c1-3-4-18-13-14-30-23(17-18)32-28(35)21-7-5-19(6-8-21)24-25-26(29)31-15-16-34(25)27(33-24)20-9-11-22(36-2)12-10-20/h5-8,13-17,20,22H,3-4,9-12H2,1-2H3,(H2,29,31)(H,30,32,35)/t20-,22+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Merck Sharp & Dohme Corp

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