BDBM12348 3-(pyridin-3-yl)prop-2-yn-1-amine::CHEMBL360541::US8609708, 3::nicotine 3-heteroaromatic analogue 3a

SMILES: NCC#Cc1cccnc1

InChI Key: InChIKey=BGKUWZFWNZFRMO-UHFFFAOYSA-N

Data: 3 KI  12 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 15 hits for monomerid = 12348   

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 2A6 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2E1 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2A6 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	160	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)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2B6 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C8 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+4	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 2A6 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		90	n/a	n/a	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 2A6 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		300	-9.25	n/a	n/a	n/a	n/a	n/a	7.5	37
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Cytochrome P450 3A4 (Human)	BDBM12348 (US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...) Show SMILES Show InChI	GoogleScholar	UniChem		1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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