BDBM50190528 (2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxo-1-piperazinyl]-N,N-dimethylethanamide::CHEMBL377414

SMILES: CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

InChI Key: InChIKey=KUYYTTWJIWYFTJ-UHFFFAOYSA-N

Data: 4 KI  13 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 17 hits for monomerid = 50190528   

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
Oxytocin receptor (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) 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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Cytochrome P450 3A4 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	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)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Oxytocin receptor (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Vasopressin V2 receptor (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Vasopressin V1a receptor (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Vasopressin V1b receptor (Human)	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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