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SMILES: CCN1CC(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO

InChI Key: InChIKey=UUXHBIQPSNVSIK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 202226   
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))		BDBM202226
PNG
(US9233983, R-5)
Show SMILES CCN1CC(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12|
Show InChI InChI=1S/C37H38FN5O4/c1-2-41-19-25(20-41)36(45)42-12-9-23(10-13-42)31-18-28-27(8-11-39-35(28)40-31)26-4-3-5-32(29(26)21-44)43-14-15-47-33-17-24(22-6-7-22)16-30(38)34(33)37(43)46/h3-5,8-9,11,16-18,22,25,44H,2,6-7,10,12-15,19-21H2,1H3,(H,39,40)
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MMDB

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KEGG

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US Patent
n/an/a 0.75n/an/an/an/an/an/a



ADVINUS THERAPEUTICS LIMITED

US Patent


Assay Description
The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...

US Patent US9233983 (2016)


BindingDB Entry DOI: 10.7270/Q22J69PQ
More data for this
Ligand-Target Pair