BDBM50367071 CHEMBL607736

SMILES: O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)n1cnc2c(NCCCCCNC(=O)OCc3ccccc3)ncnc12

InChI Key: InChIKey=ANWAVTKGTPGIGS-BEBASYGKSA-N

Data: 1 KI

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 1 hit for monomerid = 50367071   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenylate kinase 2 (Homo sapiens (Human))	BDBM50367071 (CHEMBL607736) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)n1cnc2c(NCCCCCNC(=O)OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C23H33N6O15P3/c30-18-16(12-41-46(36,37)44-47(38,39)43-45(33,34)35)42-22(19(18)31)29-14-28-17-20(26-13-27-21(17)29)24-9-5-2-6-10-25-23(32)40-11-15-7-3-1-4-8-15/h1,3-4,7-8,13-14,16,18-19,22,30-31H,2,5-6,9-12H2,(H,25,32)(H,36,37)(H,38,39)(H,24,26,27)(H2,33,34,35)/t16-,18-,19-,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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