BDBM50505569 CHEMBL4557670

SMILES: C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F

InChI Key: InChIKey=JWJQXZNLFNMIHE-UHFFFAOYSA-N

Data: 2 KI  13 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50505569   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 2 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 2 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 2 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM50505569 (CHEMBL4557670) Show SMILES Show InChI	GoogleScholar	UniChem		0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair