BDBM80808 2-(2-amino-6-methylsulfanylpurin-9-yl)-N-[(1R)-1-naphthalen-1-ylethyl]acetamide::2-(2-azanyl-6-methylsulfanyl-purin-9-yl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamide::2-[2-amino-6-(methylthio)-9-purinyl]-N-[(1R)-1-(1-naphthalenyl)ethyl]acetamide::2-[2-amino-6-(methylthio)purin-9-yl]-N-[(1R)-1-(1-naphthyl)ethyl]acetamide::MLS002477170::SMR001399093::cid_44246604

SMILES: CSc1nc(N)nc2n(CC(=O)N[C@H](C)c3cccc4ccccc34)cnc12

InChI Key: InChIKey=SXHNKXCPTHKWFG-GFCCVEGCSA-N

Data: 2 EC50

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 = 80808   

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
Hexokinase-1 (Homo sapiens (Human))	BDBM80808 (2-(2-amino-6-methylsulfanylpurin-9-yl)-N-[(1R)-1-n...) Show SMILES CSc1nc(N)nc2n(CC(=O)N[C@H](C)c3cccc4ccccc34)cnc12 Show InChI InChI=1S/C20H20N6OS/c1-12(14-9-5-7-13-6-3-4-8-15(13)14)23-16(27)10-26-11-22-17-18(26)24-20(21)25-19(17)28-2/h3-9,11-12H,10H2,1-2H3,(H,23,27)(H2,21,24,25)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2765CSM
					More data for this Ligand-Target Pair
Hexokinase HKDC1 [W721R] (Homo sapiens (Human))	BDBM80808 (2-(2-amino-6-methylsulfanylpurin-9-yl)-N-[(1R)-1-n...) Show SMILES CSc1nc(N)nc2n(CC(=O)N[C@H](C)c3cccc4ccccc34)cnc12 Show InChI InChI=1S/C20H20N6OS/c1-12(14-9-5-7-13-6-3-4-8-15(13)14)23-16(27)10-26-11-22-17-18(26)24-20(21)25-19(17)28-2/h3-9,11-12H,10H2,1-2H3,(H,23,27)(H2,21,24,25)/t12-/m1/s1	GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2R78CQV
					More data for this Ligand-Target Pair