BDBM50295367 CHEMBL538665::Di(8-Phenyladenosine-5'-yl)disulfide

SMILES: Nc1ncnc2n([C@@H]3O[C@H](CSSC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4c(nc5c(N)ncnc45)-c4ccccc4)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1

InChI Key: InChIKey=KNCAQLKLXRXKLH-ZZMRGJANSA-N

Data: 1 IC50

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 = 50295367   

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
NAD kinase (Homo sapiens (Human))	BDBM50295367 (CHEMBL538665 | Di(8-Phenyladenosine-5'-yl)disulfid...) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CSSC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4c(nc5c(N)ncnc45)-c4ccccc4)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N10O6S2/c33-25-19-29(37-13-35-25)41(27(39-19)15-7-3-1-4-8-15)31-23(45)21(43)17(47-31)11-49-50-12-18-22(44)24(46)32(48-18)42-28(16-9-5-2-6-10-16)40-20-26(34)36-14-38-30(20)42/h1-10,13-14,17-18,21-24,31-32,43-46H,11-12H2,(H2,33,35,37)(H2,34,36,38)/t17-,18-,21-,22-,23-,24-,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human NAD kinase by modified HPLC based assay				Bioorg Med Chem 17: 5656-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.013 BindingDB Entry DOI: 10.7270/Q2T153N2
					More data for this Ligand-Target Pair