BDBM50367039 CHEMBL604398

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

InChI Key: InChIKey=DCRRZRVLEHSTSZ-OWBHPXMMSA-N

Data: 2 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 2 hits for monomerid = 50367039   

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 isoenzyme 1 (Rattus norvegicus)	BDBM50367039 (CHEMBL604398) Show SMILES C[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H18N5O13P3/c1-4(27-31(22,23)29-32(24,25)28-30(19,20)21)8-6(17)7(18)11(26-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t4-,6+,7-,8-,11?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against rat Adenylate kinase M isoenzyme in the presence of ATP				J Med Chem 25: 1179-84 (1983) BindingDB Entry DOI: 10.7270/Q25D8SD7
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50367039 (CHEMBL604398) Show SMILES C[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H18N5O13P3/c1-4(27-31(22,23)29-32(24,25)28-30(19,20)21)8-6(17)7(18)11(26-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t4-,6+,7-,8-,11?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against rat adenylate kinase II was determined in the presence of ATP				J Med Chem 25: 1179-84 (1983) BindingDB Entry DOI: 10.7270/Q25D8SD7
					More data for this Ligand-Target Pair