BDBM50377489 CHEMBL406298

SMILES: Nc1nc(-c2ccco2)c2sccc2n1

InChI Key: InChIKey=ARPSUXKIHNZLQL-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50377489   

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))	BDBM50377489 (CHEMBL406298) Show SMILES Nc1nc(-c2ccco2)c2sccc2n1 Show InChI InChI=1S/C10H7N3OS/c11-10-12-6-3-5-15-9(6)8(13-10)7-2-1-4-14-7/h1-5H,(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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 A2a (Homo sapiens (Human))	BDBM50377489 (CHEMBL406298) Show SMILES Nc1nc(-c2ccco2)c2sccc2n1 Show InChI InChI=1S/C10H7N3OS/c11-10-12-6-3-5-15-9(6)8(13-10)7-2-1-4-14-7/h1-5H,(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50377489 (CHEMBL406298) Show SMILES Nc1nc(-c2ccco2)c2sccc2n1 Show InChI InChI=1S/C10H7N3OS/c11-10-12-6-3-5-15-9(6)8(13-10)7-2-1-4-14-7/h1-5H,(H2,11,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	479	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: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50377489 (CHEMBL406298) Show SMILES Nc1nc(-c2ccco2)c2sccc2n1 Show InChI InChI=1S/C10H7N3OS/c11-10-12-6-3-5-15-9(6)8(13-10)7-2-1-4-14-7/h1-5H,(H2,11,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	479	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))	BDBM50377489 (CHEMBL406298) Show SMILES Nc1nc(-c2ccco2)c2sccc2n1 Show InChI InChI=1S/C10H7N3OS/c11-10-12-6-3-5-15-9(6)8(13-10)7-2-1-4-14-7/h1-5H,(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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