BDBM23617 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolane-3,4-diol::4-nitrobenzylmercaptopurine ribonucleoside::CHEMBL418509::NBMPR::NBTI::Nitrobenzylthioinosine

SMILES: c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-]

InChI Key: InChIKey=DYCJFJRCWPVDHY-UHFFFAOYSA-N

Data: 9 KI  9 IC50

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 17 hits for monomerid = 23617   

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
Adenosine kinase (Toxoplasma gondii)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) 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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ATP-binding cassette sub-family C member 4 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Equilibrative nucleoside transporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.51	n/a	n/a	n/a	n/a	n/a	n/a
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Equilibrative nucleoside transporter 1 (Rat)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
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Sodium/nucleoside cotransporter 2 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) 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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Sodium/nucleoside cotransporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) 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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Equilibrative nucleoside transporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine kinase (Toxoplasma gondii)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) 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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Equilibrative nucleoside transporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		0.430	-12.6	7.60	n/a	n/a	n/a	n/a	7.4	22
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Equilibrative nucleoside transporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Equilibrative nucleoside transporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Equilibrative nucleoside transporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Equilibrative nucleoside transporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		0.700	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
Equilibrative nucleoside transporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Equilibrative nucleoside transporter 1 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		0.708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine kinase (Toxoplasma gondii)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 28 member 3 (Human)	BDBM23617 (NBTI | Nitrobenzylthioinosine | CHEMBL418509 | (2R...) Show SMILES Show InChI	GoogleScholar	UniChem		8.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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