BDBM50377487 CHEMBL403704

SMILES: CCc1nc(-c2ncc[nH]2)c2sccc2n1

InChI Key: InChIKey=ZSWIQFDBESSLGO-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50377487   

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 (Homo sapiens (Human))	BDBM50377487 (CHEMBL403704) Show SMILES CCc1nc(-c2ncc[nH]2)c2sccc2n1 Show InChI InChI=1S/C11H10N4S/c1-2-8-14-7-3-6-16-10(7)9(15-8)11-12-4-5-13-11/h3-6H,2H2,1H3,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2920-3 (2008) Article DOI: 10.1016/j.bmcl.2008.03.076 BindingDB Entry DOI: 10.7270/Q270829P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50377487 (CHEMBL403704) Show SMILES CCc1nc(-c2ncc[nH]2)c2sccc2n1 Show InChI InChI=1S/C11H10N4S/c1-2-8-14-7-3-6-16-10(7)9(15-8)11-12-4-5-13-11/h3-6H,2H2,1H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity at human adenosine A1 receptor				Bioorg Med Chem Lett 18: 2920-3 (2008) Article DOI: 10.1016/j.bmcl.2008.03.076 BindingDB Entry DOI: 10.7270/Q270829P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50377487 (CHEMBL403704) Show SMILES CCc1nc(-c2ncc[nH]2)c2sccc2n1 Show InChI InChI=1S/C11H10N4S/c1-2-8-14-7-3-6-16-10(7)9(15-8)11-12-4-5-13-11/h3-6H,2H2,1H3,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 18: 2920-3 (2008) Article DOI: 10.1016/j.bmcl.2008.03.076 BindingDB Entry DOI: 10.7270/Q270829P
					More data for this Ligand-Target Pair