BDBM511076 2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3-ethynyl-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)-2-(4-(2-oxotetrahydropyrimidin-1 (2H)-yl)benzyl)malonic acid::US11078228, Example 9

SMILES: Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCNC2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O

InChI Key: InChIKey=ROWSPNRRBJYDCU-UHFFFAOYSA-N

Data: 2 KI  13 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 = 511076   

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
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
5'-nucleotidase (Mouse)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Mouse)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) 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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Ectonucleoside triphosphate diphosphohydrolase 2 (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) 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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					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 3 (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0380	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
5'-nucleotidase (Human)	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Show InChI	GoogleScholar	UniChem		0.110	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