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BDBM350142 4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo[1,5- a]pyrazin-3-yl]tetrahydro- 2H-pyran-4-carboxylic acid::US10208047, Example 10

SMILES: C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CCOCC1)C(O)=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=TYYIGACNZAKDSD-RUZDIDTESA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 350142   
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))
BDBM350142
PNG
(4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CCOCC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O4/c1-25(37,18-3-2-4-19(15-18)27(28,29)30)17-7-5-16(6-8-17)20-21-22(31)32-11-12-34(21)23(33-20)26(24(35)36)9-13-38-14-10-26/h2-8,11-12,15,37H,9-10,13-14H2,1H3,(H2,31,32)(H,35,36)/t25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 294n/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 US10208047 (2019)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2M32XWT
More data for this
Ligand-Target Pair