BDBM31995 ADP::Adenosine Diphosphate (ADP)::CHEMBL14830

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

InChI Key: InChIKey=XTWYTFMLZFPYCI-UHFFFAOYSA-N

Data: 3 KI  1 IC50  3 Kd  3 EC50  4 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 10 hits for monomerid = 31995   

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
Heat shock 70 kDa protein 1A (Human)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	7.4	23
TBA									Citation and Details
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Heat shock 70 kDa protein 1A (Human)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	500	n/a	n/a	n/a	7.4	25
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HPr kinase/phosphorylase (Bacillus subtilis (strain 168))	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	4.30E+6	n/a	n/a	n/a	n/a
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Heat shock protein HSP 90-alpha (Human)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a
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P2Y purinoceptor 1 (Human)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
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Heat shock cognate 71 kDa protein (Bovine)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Human)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a
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P2X purinoceptor 2 (Human)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		67.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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P2X purinoceptor 3 (Human)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		452	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cholecystokinin (Rat)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP)) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 31995

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
Heat Shock Protein 90 (Hsp90) (Baker's yeast)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP))	GoogleScholar			-6.45	10.9	-17.3	4.95	8	10
TBA					Details of this binding reaction
Heat Shock Protein 90 (Hsp90) (Baker's yeast)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP))	GoogleScholar			-6.52	11.4	-18.0	4.95	8	15
TBA					Details of this binding reaction
Heat Shock Protein 90 (Hsp90) (Baker's yeast)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP))	GoogleScholar			-6.47	11.0	-17.5	4.90	8	16
TBA					Details of this binding reaction
Heat Shock Protein 90 (Hsp90) (Baker's yeast)	BDBM31995 (ADP | CHEMBL14830 | Adenosine Diphosphate (ADP))	GoogleScholar			-6.26	10.8	-17.1	4.67	8	20
TBA					Details of this binding reaction