BDBM50127138 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one::CHEMBL22587::ITRACONAZOLE::Itrizole (TN)::Oriconazole::Sporanox (TN)

SMILES: CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O

InChI Key: InChIKey=VHVPQPYKVGDNFY-UHFFFAOYSA-N

Data: 22 IC50  3 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 25 hits for monomerid = 50127138   

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
ATP-dependent translocase ABCB1 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
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C-C chemokine receptor type 4 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
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C-C chemokine receptor type 4 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) 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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C-C chemokine receptor type 4 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 1 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 1 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 1 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Vasopressin V2 receptor (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
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Vasopressin V2 receptor (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Vasopressin V2 receptor (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) 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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C-C chemokine receptor type 4 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-dependent translocase ABCB1 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Steroid C26-monooxygenase (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a
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Cruzipain (Trypanosoma cruzi)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cruzipain (Trypanosoma cruzi)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Lanosterol 14-alpha demethylase (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-dependent translocase ABCB1 (Mouse)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Mouse)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
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Lanosterol 14a-demethylase (Neosartorya fumigata)	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a
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Sterol 14-alpha demethylase cyp51A (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50127138 (Oriconazole | Sporanox (TN) | 2-(butan-2-yl)-4-{4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a
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