BDBM50004442 (2S,4S)-ketoconazole::1-acetyl-4-(4-{[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine::CHEMBL319160::CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE

SMILES: CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl

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 = 50004442   

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
Steroid 21-hydroxylase (Human)	BDBM50004442 ((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2A2 (Rat)	BDBM50004442 ((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatase (Human)	BDBM50004442 ((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B1, mitochondrial (Bovine)	BDBM50004442 ((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	247	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C11 (Rat)	BDBM50004442 ((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50004442 ((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
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Lanosterol 14-alpha demethylase (Rat)	BDBM50004442 ((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 7A1 (Rat)	BDBM50004442 ((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	546	n/a	n/a	n/a	n/a	n/a	n/a
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Cholesterol side-chain cleavage enzyme, mitochondrial (Rat)	BDBM50004442 ((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
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