BDBM50254758 (1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-3-methylpiperazin-1-ylsulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol::CHEMBL464234

SMILES: C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C

InChI Key: InChIKey=PMSFEOUVENKQAA-UHFFFAOYSA-N

Data: 10 IC50

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 10 hits for monomerid = 50254758   

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
Cytochrome P450 3A4 (Human)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Human)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Human)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Mouse)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Mouse)	BDBM50254758 ((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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