BDBM50533831 CHEMBL4445820

SMILES: Nc1nc2c3ccccc3[nH]c(=S)n2n1

InChI Key: InChIKey=KDMAATNMAUOLFS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50533831   

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 receptor A2a (Rattus norvegicus (rat))	BDBM50533831 (CHEMBL4445820) Show SMILES Nc1nc2c3ccccc3[nH]c(=S)n2n1 Show InChI InChI=1S/C9H7N5S/c10-8-12-7-5-3-1-2-4-6(5)11-9(15)14(7)13-8/h1-4H,(H2,10,13)(H,11,15)	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))	BDBM50533831 (CHEMBL4445820) Show SMILES Nc1nc2c3ccccc3[nH]c(=S)n2n1 Show InChI InChI=1S/C9H7N5S/c10-8-12-7-5-3-1-2-4-6(5)11-9(15)14(7)13-8/h1-4H,(H2,10,13)(H,11,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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
Adenosine kinase (Homo sapiens (Human))	BDBM50533831 (CHEMBL4445820) Show SMILES Nc1nc2c3ccccc3[nH]c(=S)n2n1 Show InChI InChI=1S/C9H7N5S/c10-8-12-7-5-3-1-2-4-6(5)11-9(15)14(7)13-8/h1-4H,(H2,10,13)(H,11,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.51E+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 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