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BDBM263554 2-{5-amino-1-[4-(3-cyano- phenoxy)-2-methyl-phenyl]-1h- pyrazole-4-carbonyl}-1h- benzoimidazole-5-carboxylic acid::US9556150, i-42

SMILES: Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2nc3cc(ccc3[nH]2)C(O)=O)c1N

InChI Key: InChIKey=FHYSSWICUKGRGR-UHFFFAOYSA-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 = 263554   
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))
BDBM263554
PNG
(2-{5-amino-1-[4-(3-cyano- phenoxy)-2-methyl-phenyl...)
Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2nc3cc(ccc3[nH]2)C(O)=O)c1N
Show InChI InChI=1S/C26H18N6O4/c1-14-9-18(36-17-4-2-3-15(10-17)12-27)6-8-22(14)32-24(28)19(13-29-32)23(33)25-30-20-7-5-16(26(34)35)11-21(20)31-25/h2-11,13H,28H2,1H3,(H,30,31)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

More data for this
Ligand-Target Pair