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SMILES: Cn1cc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(NC(=O)N2Cc3ccc(Cl)cc3C2)c1CO

InChI Key: InChIKey=WXEUUUOQUSWAOS-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 327856   
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))		BDBM327856
PNG
(5-chloro-N-[2- (hydroxymethyl)-3-[1- methyl-5-[[5-...)
Show SMILES Cn1cc(cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O)-c1cccc(NC(=O)N2Cc3ccc(Cl)cc3C2)c1CO
Show InChI InChI=1S/C32H31ClN6O5/c1-37-16-23(14-28(31(37)42)35-29-8-6-20(15-34-29)30(41)38-9-11-44-12-10-38)25-3-2-4-27(26(25)19-40)36-32(43)39-17-21-5-7-24(33)13-22(21)18-39/h2-8,13-16,40H,9-12,17-19H2,1H3,(H,34,35)(H,36,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...

US Patent US9663494 (2017)


BindingDB Entry DOI: 10.7270/Q2B27XC5
More data for this
Ligand-Target Pair