BDBM50295363 (tiazofurin-5'-yl)(adenosin-5'-yl)disulfide::CHEMBL559921

SMILES: NC(=O)c1csc(n1)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O

InChI Key: InChIKey=JIHGLORHRJMYSK-QZTLEVGFSA-N

Data: 2 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 2 hits for monomerid = 50295363   

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))	BDBM50295363 ((tiazofurin-5'-yl)(adenosin-5'-yl)disulfide | CHEM...) Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N7O7S3/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(33-19)3-36-35-2-7-10(27)12(29)14(32-7)18-25-6(1-34-18)16(21)31/h1,4-5,7-8,10-14,19,27-30H,2-3H2,(H2,21,31)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/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	1.10E+5	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
Inorganic polyphosphate/ATP-NAD kinase (Mycobacterium tuberculosis)	BDBM50295363 ((tiazofurin-5'-yl)(adenosin-5'-yl)disulfide | CHEM...) Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N7O7S3/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(33-19)3-36-35-2-7-10(27)12(29)14(32-7)18-25-6(1-34-18)16(21)31/h1,4-5,7-8,10-14,19,27-30H,2-3H2,(H2,21,31)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis 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