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BDBM350167 (1R,3r,5S,6s)-3-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo[1,5- a]pyrazin-3- yl]bicyclo[3.1.0]hexane-6- carboxylic acid::US10208047, Example 35

SMILES: C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@H]3[C@@H](C2)[C@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=OPZHSKJUIKJYJA-JLDVXBSHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 350167   
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))
BDBM350167
PNG
((1R,3r,5S,6s)-3-[8-amino-1- (4-{(1R)-1-hydroxy-1-[...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@H]3[C@@H](C2)[C@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N4O3/c1-27(38,17-3-2-4-18(13-17)28(29,30)31)16-7-5-14(6-8-16)22-23-24(32)33-9-10-35(23)25(34-22)15-11-19-20(12-15)21(19)26(36)37/h2-10,13,15,19-21,38H,11-12H2,1H3,(H2,32,33)(H,36,37)/t15-,19-,20+,21-,27-/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 15.7n/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