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SMILES: CN1CCN(Cc2ccc(cc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1

InChI Key: InChIKey=OCSSVCZOTDVDND-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 202094   
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))		BDBM202094
PNG
(US9233983, B-13)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C38H39N5O3/c1-41-15-17-42(18-16-41)23-25-5-7-27(8-6-25)34-22-32-30(13-14-39-37(32)40-34)29-3-2-4-35(33(29)24-44)43-19-20-46-36-21-28(26-9-10-26)11-12-31(36)38(43)45/h2-8,11-14,21-22,26,44H,9-10,15-20,23-24H2,1H3,(H,39,40)
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US Patent
n/an/a 3n/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