BDBM50350512 CHEMBL1812070

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(S)(=O)OCC(COP(S)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)OP(O)(S)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=ZEUCQIKJOSFPPZ-WXDQSIDJSA-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 = 50350512   

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))	BDBM50350512 (CHEMBL1812070) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(S)(=O)OCC(COP(S)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)OP(O)(S)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H33N10O15P3S3/c24-18-12-20(28-5-26-18)32(7-30-12)22-16(36)14(34)10(46-22)3-44-50(40,53)42-1-9(48-49(38,39)52)2-43-51(41,54)45-4-11-15(35)17(37)23(47-11)33-8-31-13-19(25)27-6-29-21(13)33/h5-11,14-17,22-23,34-37H,1-4H2,(H,40,53)(H,41,54)(H2,24,26,28)(H2,25,27,29)(H2,38,39,52)/t9?,10-,11-,14-,15-,16-,17-,22-,23-,50?,51?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Fragile histidine triad prorein hydrolytic activity				Bioorg Med Chem 19: 5053-60 (2011) Article DOI: 10.1016/j.bmc.2011.06.028 BindingDB Entry DOI: 10.7270/Q28K79GM
					More data for this Ligand-Target Pair