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BDBM350160 (1S,3R)-3-[8-amino-1-(2- ethoxy-4-{(1S)-1-hydroxy- 1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo[1,5- a]pyrazin-3-yl]-1,2,2- trimethylcyclopentane- carboxylic acid::US10208047, Example 28

SMILES: CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=WONMLGXSOPQUNB-VHCCWIOHSA-N

Data: 1 IC50

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 = 350160   
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))
BDBM350160
PNG
((1S,3R)-3-[8-amino-1-(2- ethoxy-4-{(1S)-1-hydroxy-...)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C32H35F3N4O4/c1-6-43-23-17-19(31(5,42)18-8-7-9-20(16-18)32(33,34)35)10-11-21(23)24-25-26(36)37-14-15-39(25)27(38-24)22-12-13-30(4,28(40)41)29(22,2)3/h7-11,14-17,22,42H,6,12-13H2,1-5H3,(H2,36,37)(H,40,41)/t22-,30+,31-/m0/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 1.20n/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