BDBM50295052 2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl}piperazin-1-yl)-quinoline-6-carbonitrile::CHEMBL551964

SMILES: Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1

InChI Key: InChIKey=AIBSVCNXTNBLRF-UHFFFAOYSA-N

Data: 5 KI  5 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 10 hits for monomerid = 50295052   

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
Cytochrome P450 2C9 (Human)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C8 (Human)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1A (Human)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1A (Human)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Sodium-dependent serotonin transporter (Rat)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		13.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Human)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(3) dopamine receptor (Human)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(4) dopamine receptor (Human)	BDBM50295052 (2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...) Show SMILES Show InChI	GoogleScholar	UniChem		1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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