BDBM86488 ATP, Bz::CAS_81790-82-1::NSC_0

SMILES: c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI Key: InChIKey=AWJJLYZBWRIBCZ-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 86488   

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
P2X purinoceptor 2 (Human)	BDBM86488 (NSC_0 | CAS_81790-82-1 | ATP, Bz) Show SMILES Show InChI	GoogleScholar	UniChem		4.20	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
P2X purinoceptor 3 (Human)	BDBM86488 (NSC_0 | CAS_81790-82-1 | ATP, Bz) Show SMILES Show InChI	GoogleScholar	UniChem		7.70	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Human)	BDBM86488 (NSC_0 | CAS_81790-82-1 | ATP, Bz) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair