BDBM11941 2,5-ADP::ADENOSINE-2 -5 -DIPHOSPHATE::{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}phosphonic acid

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O

InChI Key: InChIKey=AEOBEOJCBAYXBA-UHFFFAOYSA-N

Data: 1 KI  1 Kd  2 ITC

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 2 hits for monomerid = 11941   

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
2-dehydropantoate 2-reductase (Escherichia coli (strain K12))	BDBM11941 ({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydrox...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
2-dehydropantoate 2-reductase (Escherichia coli (strain K12))	BDBM11941 ({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydrox...) Show SMILES Show InChI	GoogleScholar	UniChem		2.40E+5	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

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 11941

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Cytochrome P450 Reductase (CPR) (Human)	BDBM11941 ({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydrox...)	GoogleScholar			-9.78	8.18	-18.0	7.28	7	25
TBA					Details of this binding reaction
FAD-Binding Domain (Human)	BDBM11941 ({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydrox...)	GoogleScholar			-10.3	9.19	-19.0	7.45	7	25
TBA					Details of this binding reaction