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SMILES: N[C@H]1COCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1

InChI Key: InChIKey=QEFLUXPUKNSHBH-UONOGXRCSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222954   
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 SYK [2-635]


(Homo sapiens (Human))		BDBM222954
PNG
(US9315500, 3.4)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1
Show InChI InChI=1S/C20H21N7O2/c21-13-10-29-7-5-14(13)24-16-8-12-9-23-27-20(28)17(12)19(26-16)25-15-3-1-2-11-4-6-22-18(11)15/h1-4,6,8-9,13-14,22H,5,7,10,21H2,(H,27,28)(H2,24,25,26)/t13-,14+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair