BDBM50208874 CHEMBL3883624

SMILES: Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCc3ccnc(Cl)c3)nc12

InChI Key: InChIKey=KVDSQCAFKUVDCX-KRQFVHPKSA-N

Data: 1 KI  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 2 hits for monomerid = 50208874   

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))	BDBM50208874 (CHEMBL3883624) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCc3ccnc(Cl)c3)nc12 |r| Show InChI InChI=1S/C18H19ClN10O4S/c19-10-3-8(1-2-22-10)4-23-11(30)6-34-18-27-12-15(20)24-7-25-16(12)29(18)17-14(32)13(31)9(33-17)5-26-28-21/h1-3,7,9,13-14,17,31-32H,4-6H2,(H,23,30)(H2,20,24,25)/t9-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phospha...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair
NAD kinase (NADK) (Staphylococcus aureus)	BDBM50208874 (CHEMBL3883624) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCc3ccnc(Cl)c3)nc12 |r| Show InChI InChI=1S/C18H19ClN10O4S/c19-10-3-8(1-2-22-10)4-23-11(30)6-34-18-27-12-15(20)24-7-25-16(12)29(18)17-14(32)13(31)9(33-17)5-26-28-21/h1-3,7,9,13-14,17,31-32H,4-6H2,(H,23,30)(H2,20,24,25)/t9-,13-,14-,17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
France; CNRS Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus COL NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate ...				Eur J Med Chem 124: 1041-1056 (2016) Article DOI: 10.1016/j.ejmech.2016.10.033 BindingDB Entry DOI: 10.7270/Q2WH2S1K
					More data for this Ligand-Target Pair