BindingDB PrimarySearch

null

SMILES: Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=XOKJUSAYZUAMGJ-WOUKDFQISA-N

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50049823
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50049823 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50049823 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis				J Med Chem 59: 4625-36 (2016) Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50049823 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase				J Med Chem 43: 2883-93 (2000) BindingDB Entry DOI: 10.7270/Q2XG9QCV
Metabasis Therapeutics Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50049823 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of DOT1L (unknown origin) using chicken nucleosome as substrate in presence of [3H]SAM incubated for 1 hr by TopCount method				Bioorg Med Chem Lett 26: 4518-4522 (2016) Article DOI: 10.1016/j.bmcl.2016.07.041 BindingDB Entry DOI: 10.7270/Q25M697H
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Probable global transcription activator SNF2L2 (Homo sapiens (Human))	BDBM50049823 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GF0S4R
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50049823 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of the adenosine kinase (AK) activity.				Bioorg Med Chem Lett 14: 3077-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.040 BindingDB Entry DOI: 10.7270/Q2CZ38BM
Vigo University Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50049823 (4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase activity				Bioorg Med Chem Lett 12: 899-902 (2002) BindingDB Entry DOI: 10.7270/Q2NP23QT
Jadavpur University Curated by ChEMBL					More data for this Ligand-Target Pair