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SMILES: CN(CCCN(C)C(=O)CCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCNC(=O)OCc1ccccc1

InChI Key: InChIKey=NEHAPWHMIVCPFC-XHMGHMDQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50367072   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenylate kinase 2, mitochondrial


(Homo sapiens (Human))		BDBM50367072
PNG
(CHEMBL3350534 | CHEMBL610134)
Show SMILES CN(CCCN(C)C(=O)CCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCNC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H51N8O17P3/c1-39(17-10-18-40(2)26(43)14-7-9-16-35-33(46)54-19-23-11-4-3-5-12-23)25(42)13-6-8-15-34-30-27-31(37-21-36-30)41(22-38-27)32-29(45)28(44)24(56-32)20-55-60(50,51)58-61(52,53)57-59(47,48)49/h3-5,11-12,21-22,24,28-29,32,44-45H,6-10,13-20H2,1-2H3,(H,35,46)(H,50,51)(H,52,53)(H,34,36,37)(H2,47,48,49)/t24-,28-,29-,32?/m1/s1
PDB
MMDB

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Similars
PubMed
 6.80E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant

J Med Chem 25: 382-6 (1982)


BindingDB Entry DOI: 10.7270/Q24F1R9V
More data for this
Ligand-Target Pair