BDBM50519501 CHEMBL4583093

SMILES: Nc1nc2n(C[C@@H](CO)OCCP(O)(O)=O)cnc2c(=O)[nH]1

InChI Key: InChIKey=CRTHRZMQPBKEQP-LURJTMIESA-N

Data: 1 KI

PDB links: 1 PDB ID matches 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 1 hit for monomerid = 50519501   

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 (Homo sapiens (Human))	BDBM50519501 (CHEMBL4583093) Show SMILES Nc1nc2n(C[C@@H](CO)OCCP(O)(O)=O)cnc2c(=O)[nH]1 |r| Show InChI InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(4-16)21-1-2-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged HGPRT using Prib-PP as substrate by Hanes-plot based method				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182
					More data for this Ligand-Target Pair				3D Structure (crystal)