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SMILES: Cn1c(Nc2ccc(I)cc2F)c(C(=O)NOCC(O)CO)c2CCCc2c1=O

InChI Key: InChIKey=VYSYSZONFCSFGC-UHFFFAOYSA-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 = 316884   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM316884
PNG
(US9617261, Example 00085)
Show SMILES Cn1c(Nc2ccc(I)cc2F)c(C(=O)NOCC(O)CO)c2CCCc2c1=O
Show InChI InChI=1S/C19H21FIN3O5/c1-24-17(22-15-6-5-10(21)7-14(15)20)16(12-3-2-4-13(12)19(24)28)18(27)23-29-9-11(26)8-25/h5-7,11,22,25-26H,2-4,8-9H2,1H3,(H,23,27)
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US Patent
n/an/a<500n/an/an/an/an/an/a



CMG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The LANCE Ultra assay kit was purchased from PerkinElmer. The ULight-MBP peptide, Europium labeled Antibody and LANCE Detection buffer were purchased...

US Patent US9617261 (2017)


BindingDB Entry DOI: 10.7270/Q2542QNH
More data for this
Ligand-Target Pair