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SMILES: CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(CN2CCOCC2)cn1

InChI Key: InChIKey=LVYZYDZHGAKKTJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 287414   
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))		BDBM287414
PNG
(US9567339, Example E.9.13)
Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(CN2CCOCC2)cn1
Show InChI InChI=1S/C26H30N6O3/c1-3-24(33)32-15-18(16-32)30(2)23-7-5-19(26(27)34)25-20(23)12-22(29-25)21-6-4-17(13-28-21)14-31-8-10-35-11-9-31/h3-7,12-13,18,29H,1,8-11,14-16H2,2H3,(H2,27,34)
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