BDBM50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857

SMILES: CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1

InChI Key: InChIKey=GSNHKUDZZFZSJB-UHFFFAOYSA-N

Data: 1 KI  37 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 39 hits for monomerid = 50334986   

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)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) 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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Multidrug and toxin extrusion protein 2 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.97E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Multidrug and toxin extrusion protein 1 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 22 member 2 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Sodium channel protein type 5 subunit alpha (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium channel protein type 5 subunit alpha (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily E/KQT member 1 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 2 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Bile salt export pump (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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ATP-binding cassette sub-family C member 3 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Mouse)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.67	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) 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)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) 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)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) 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 3A4 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 3A4 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Human)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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C-C chemokine receptor type 5 (Crab-eating macaque)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES Show InChI	GoogleScholar	UniChem		0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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