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SMILES: CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1cn(C)nc1C

InChI Key: InChIKey=XDCHQGPUHOXPCJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 287419   
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 [393-659]


(Homo sapiens (Human))		BDBM287419
PNG
(US9567339, Example E.9.18)
Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1cn(C)nc1C
Show InChI InChI=1S/C21H24N6O2/c1-5-19(28)27-9-13(10-27)26(4)18-7-6-14(21(22)29)20-15(18)8-17(23-20)16-11-25(3)24-12(16)2/h5-8,11,13,23H,1,9-10H2,2-4H3,(H2,22,29)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/a6.525



AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair