BDBM13016 1,2,3,4-tetrahydroisoquinoline::CHEMBL14346::THIQ 6::tetrahydroisoquinoline

SMILES: c1ccc2c(c1)CCNC2

InChI Key: InChIKey=UWYZHKAOTLEWKK-UHFFFAOYSA-N

Data: 20 KI  1 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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 23 hits for monomerid = 13016   

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
CD44 antigen (Human)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	6.90E+6	n/a	n/a	n/a	n/a	n/a
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CD44 antigen (Mouse)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.12E+7	n/a	n/a	n/a	n/a	n/a
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CD44 antigen (Human)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.70E+7	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (Rat)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Phenylethanolamine N-methyltransferase (Human)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Phenylethanolamine N-methyltransferase (Human)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		5.80E+3	-7.43	n/a	n/a	n/a	n/a	n/a	8.0	37
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Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		6.67E+3	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
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		9.67E+3	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
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		9.70E+3	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
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		9.70E+3	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
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+4	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
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+4	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
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bovine)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Human)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Amine oxidase [flavin-containing] B (Human)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1A (Rat)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Amine oxidase [flavin-containing] A (Human)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Nicotinamide N-methyltransferase (Human)	BDBM13016 (1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...) Show SMILES Show InChI	GoogleScholar	UniChem		4.70E+7	-1.88	n/a	n/a	n/a	n/a	n/a	8.6	37
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