BDBM50377473 CHEMBL406048

SMILES: OC[C@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1

InChI Key: InChIKey=DFJYJKJUDWOECT-SECBINFHSA-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 = 50377473   

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))	BDBM50377473 (CHEMBL406048) Show SMILES OC[C@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1 Show InChI InChI=1S/C14H14N4OS2/c19-8-9-2-1-5-18(9)14-16-10-3-6-20-12(10)11(17-14)13-15-4-7-21-13/h3-4,6-7,9,19H,1-2,5,8H2/t9-/m1/s1	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	3.60	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))	BDBM50377473 (CHEMBL406048) Show SMILES OC[C@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1 Show InChI InChI=1S/C14H14N4OS2/c19-8-9-2-1-5-18(9)14-16-10-3-6-20-12(10)11(17-14)13-15-4-7-21-13/h3-4,6-7,9,19H,1-2,5,8H2/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	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))	BDBM50377473 (CHEMBL406048) Show SMILES OC[C@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1 Show InChI InChI=1S/C14H14N4OS2/c19-8-9-2-1-5-18(9)14-16-10-3-6-20-12(10)11(17-14)13-15-4-7-21-13/h3-4,6-7,9,19H,1-2,5,8H2/t9-/m1/s1	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