BDBM50412071 CHEMBL388931

SMILES: CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=ZDRFDHHANOYUTE-IOSLPCCCSA-N

Data: 2 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

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 3 hits for monomerid = 50412071   

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
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM50412071 (CHEMBL388931) Show SMILES CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50412071 (CHEMBL388931) Show SMILES CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020
					More data for this Ligand-Target Pair				3D Structure (crystal)
Equilibrative Nucleoside Transporter 1 (ENT1) (Homo sapiens (Human))	BDBM50412071 (CHEMBL388931) Show SMILES CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to ENT1 transporter				Bioorg Med Chem 16: 3848-65 (2008) Article DOI: 10.1016/j.bmc.2008.01.044 BindingDB Entry DOI: 10.7270/Q2GM8866
					More data for this Ligand-Target Pair