BDBM81573 AppppA analog, 4 (X=S)

SMILES: Nc1ncnc2n(cnc12)C1OC(COP([O-])(=S)OCC(O)C(O)COP([S-])(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O

InChI Key: InChIKey=QMWJRUBTYONLFG-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 = 81573   

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
Bis(5'adenosyl)-triphosphatase (Homo sapiens (Human))	BDBM81573 (AppppA analog, 4 (X=S)) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])(=S)OCC(O)C(O)COP([S-])(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O Show InChI InChI=1S/C24H34N10O14P2S2/c25-19-13-21(29-5-27-19)33(7-31-13)23-17(39)15(37)11(47-23)3-45-49(41,51)43-1-9(35)10(36)2-44-50(42,52)46-4-12-16(38)18(40)24(48-12)34-8-32-14-20(26)28-6-30-22(14)34/h5-12,15-18,23-24,35-40H,1-4H2,(H,41,51)(H,42,52)(H2,25,27,29)(H2,26,28,30)/p-2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kimmel Cancer Center					Assay Description Inhibition assay using Fhit with ApppBODIPY.				BMC Chem Biol 1: 3 (2001) Article DOI: 10.1186/1472-6769-1-3 BindingDB Entry DOI: 10.7270/Q2445JZ9
					More data for this Ligand-Target Pair