BDBM50336347 4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668021

SMILES: CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1

InChI Key: InChIKey=GWNOTCOIYUNTQP-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50336347   

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 2C9 (Human)	BDBM50336347 (4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50336347 (4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50336347 (4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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C-C chemokine receptor type 5 (Human)	BDBM50336347 (4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	470	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)	BDBM50336347 (4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	380	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)	BDBM50336347 (4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.70E+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)	BDBM50336347 (4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair