BDBM50246594 (+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::CHEMBL462398::US9290501, MT-SerMe-ImmH

SMILES: CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O

InChI Key: InChIKey=CHAYSRLWZZJIPO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50246594   

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
S-methyl-5'-thioinosine phosphorylase (Pseudomonas aeruginosa)	BDBM50246594 ((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...) Show SMILES CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C11H16N4O2S/c1-18-5-8(4-16)12-2-7-3-13-10-9(7)14-6-15-11(10)17/h3,6,8,12-13,16H,2,4-5H2,1H3,(H,14,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0960	-13.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Albert Einstein College of Medicine, Inc.; Victoria Link Limited US Patent					Assay Description Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...				US Patent US9290501 (2016) BindingDB Entry DOI: 10.7270/Q2639NKD
					More data for this Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (Pseudomonas aeruginosa)	BDBM50246594 ((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...) Show SMILES CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C11H16N4O2S/c1-18-5-8(4-16)12-2-7-3-13-10-9(7)14-6-15-11(10)17/h3,6,8,12-13,16H,2,4-5H2,1H3,(H,14,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0960	-13.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Albert Einstein College of Medicine, Inc.; Victoria Link Limited US Patent					Assay Description Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...				US Patent US9290501 (2016) BindingDB Entry DOI: 10.7270/Q2639NKD
					More data for this Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (Pseudomonas aeruginosa)	BDBM50246594 ((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...) Show SMILES CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C11H16N4O2S/c1-18-5-8(4-16)12-2-7-3-13-10-9(7)14-6-15-11(10)17/h3,6,8,12-13,16H,2,4-5H2,1H3,(H,14,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.720	-12.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Albert Einstein College of Medicine, Inc.; Victoria Link Limited US Patent					Assay Description Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...				US Patent US9290501 (2016) BindingDB Entry DOI: 10.7270/Q2639NKD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50246594 ((+/-)-7-((1-hydroxy-3-(methylthio)propan-2-ylamino...) Show SMILES CSCC(CO)NCc1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C11H16N4O2S/c1-18-5-8(4-16)12-2-7-3-13-10-9(7)14-6-15-11(10)17/h3,6,8,12-13,16H,2,4-5H2,1H3,(H,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine of Yeshiva University Curated by ChEMBL					Assay Description Initial binding affinity to wild type human PNP				Bioorg Med Chem Lett 18: 5900-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H
					More data for this Ligand-Target Pair