BDBM50467706 CHEMBL4294529

SMILES: Oc1ncnc2n(cnc12)[C@@H]1CNC[C@@H]1OCP(O)(O)=O

InChI Key: InChIKey=YFBRPISOXMPUHB-RQJHMYQMSA-N

Data: 3 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 3 hits for monomerid = 50467706   

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
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467706 (CHEMBL4294529) Show SMILES Oc1ncnc2n(cnc12)[C@@H]1CNC[C@@H]1OCP(O)(O)=O |r| Show InChI InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467706 (CHEMBL4294529) Show SMILES Oc1ncnc2n(cnc12)[C@@H]1CNC[C@@H]1OCP(O)(O)=O |r| Show InChI InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT) (Homo sapiens (Human))	BDBM50467706 (CHEMBL4294529) Show SMILES Oc1ncnc2n(cnc12)[C@@H]1CNC[C@@H]1OCP(O)(O)=O |r| Show InChI InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by spectrophotometric analysis				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair