BDBM50181473 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one::4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one::4-[4-(4-{4-[(R)-5-(2,4-difluoro-phenyl)-5-(4,5-dihydro-[1,2,4]triazol-1-ylmethyl)-tetrahydro-furan-3-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2-((1S,2S)-1-ethyl-2-hydroxy-propyl)-2,4-dihydro-[1,2,4]triazol-3-one::CHEMBL1397::Noxafil::POSACONAZOLE::pasaconazole

SMILES: CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O

InChI Key: InChIKey=RAGOYPUPXAKGKH-UHFFFAOYSA-N

Data: 20 IC50  4 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 24 hits for monomerid = 50181473   

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 (Yeast)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
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Lanosterol 14a-demethylase (Neosartorya fumigata)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a
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Sterol 14-alpha demethylase cyp51A (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
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Sterol 14-alpha demethylase (Trypanosoma cruzi (strain CL Brener))	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
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Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	672	n/a	n/a	n/a	n/a	n/a	n/a
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Sterol 14-alpha demethylase (Trypanosoma cruzi (strain CL Brener))	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
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Sterol 14-alpha demethylase (Trypanosoma cruzi (strain CL Brener))	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) 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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Aromatase (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Steroid 17-alpha-hydroxylase/17,20 lyase (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Steroid 17-alpha-hydroxylase/17,20 lyase (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B2, mitochondrial (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B1, mitochondrial (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) 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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ATP-binding cassette sub-family C member 2 (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) 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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Bile salt export pump (Human)	BDBM50181473 (CHEMBL1397 | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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