BDBM50069813 CHEMBL3407785

SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)NC

InChI Key: InChIKey=KZZIQBCUVRUILN-UHFFFAOYSA-N

Data: 1 KI  9 IC50  7 EC50

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 = 50069813   

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
Sodium-dependent dopamine transporter (Mouse)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium-dependent noradrenaline transporter (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
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Sodium-dependent serotonin transporter (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium-dependent noradrenaline transporter (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
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Sodium-dependent noradrenaline transporter (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Sodium-dependent dopamine transporter (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	870	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium-dependent dopamine transporter (Mouse)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Sodium-dependent dopamine transporter (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium-dependent serotonin transporter (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium-dependent dopamine transporter (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50069813 (CHEMBL3407785) Show SMILES Show InChI	GoogleScholar	UniChem		0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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