BDBM50291548 CHEMBL8056::Phosphocreatine analogue

SMILES: CN(CC([O-])=O)C(=[NH2+])CP([O-])([O-])=O

InChI Key: InChIKey=HQOODOFTMHGEPV-UHFFFAOYSA-L

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 = 50291548   

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
Creatine kinase M (Homo sapiens (Human))	BDBM50291548 (CHEMBL8056 | Phosphocreatine analogue) Show SMILES CN(CC([O-])=O)C(=[NH2+])CP([O-])([O-])=O Show InChI InChI=1S/C5H11N2O5P/c1-7(2-5(8)9)4(6)3-13(10,11)12/h6H,2-3H2,1H3,(H,8,9)(H2,10,11,12)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition against Creatine kinase (CK)				Bioorg Med Chem Lett 7: 1021-1026 (1997) Article DOI: 10.1016/S0960-894X(97)00161-3 BindingDB Entry DOI: 10.7270/Q2WW7HPG
					More data for this Ligand-Target Pair