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SMILES: Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc31

InChI Key: InChIKey=HTIGLPOMZQFZIR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50533832   

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
Adenosine kinase (Homo sapiens (Human))	BDBM50533832 (CHEMBL4524434) Show SMILES Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc31 Show InChI InChI=1S/C17H9ClN4S2/c18-11-7-3-1-5-9(11)14-19-16-13(15-20-21-17(23)22(14)15)10-6-2-4-8-12(10)24-16/h1-8H,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533832 (CHEMBL4524434) Show SMILES Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc31 Show InChI InChI=1S/C17H9ClN4S2/c18-11-7-3-1-5-9(11)14-19-16-13(15-20-21-17(23)22(14)15)10-6-2-4-8-12(10)24-16/h1-8H,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50533832 (CHEMBL4524434) Show SMILES Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc31 Show InChI InChI=1S/C17H9ClN4S2/c18-11-7-3-1-5-9(11)14-19-16-13(15-20-21-17(23)22(14)15)10-6-2-4-8-12(10)24-16/h1-8H,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026
					More data for this Ligand-Target Pair