BDBM50004441 (2R,4R)-ketoconazole::1-acetyl-4-(4-{[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine::CHEMBL328863

SMILES: CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50004441   

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
Lanosterol 14-alpha demethylase (Rat)	BDBM50004441 ((2R,4R)-ketoconazole | CHEMBL328863 | 1-acetyl-4-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM50004441 ((2R,4R)-ketoconazole | CHEMBL328863 | 1-acetyl-4-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50004441 ((2R,4R)-ketoconazole | CHEMBL328863 | 1-acetyl-4-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	897	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2A2 (Rat)	BDBM50004441 ((2R,4R)-ketoconazole | CHEMBL328863 | 1-acetyl-4-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	728	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 7A1 (Rat)	BDBM50004441 ((2R,4R)-ketoconazole | CHEMBL328863 | 1-acetyl-4-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B1, mitochondrial (Bovine)	BDBM50004441 ((2R,4R)-ketoconazole | CHEMBL328863 | 1-acetyl-4-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C11 (Rat)	BDBM50004441 ((2R,4R)-ketoconazole | CHEMBL328863 | 1-acetyl-4-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cholesterol side-chain cleavage enzyme, mitochondrial (Rat)	BDBM50004441 ((2R,4R)-ketoconazole | CHEMBL328863 | 1-acetyl-4-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Steroid 21-hydroxylase (Human)	BDBM50004441 ((2R,4R)-ketoconazole | CHEMBL328863 | 1-acetyl-4-(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
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