BDBM50339033 5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688243

SMILES: CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F

InChI Key: InChIKey=ZMCJFJZOSKEMOM-UHFFFAOYSA-N

Data: 12 IC50  1 Kd

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 13 hits for monomerid = 50339033   

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
C-C chemokine receptor type 5 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
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C-C chemokine receptor type 5 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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C-C chemokine receptor type 5 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a
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C-C chemokine receptor type 5 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
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C-C chemokine receptor type 5 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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C-C chemokine receptor type 5 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.5	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)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-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)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-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 1A2 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-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 2C9 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-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)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-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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					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Human)	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair