BDBM50271639 CHEMBL4129433

SMILES: CCn1nc(-c2ccccn2)c2sccc2c1=O

InChI Key: InChIKey=GQDNVOFENRCWJW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50271639   

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 A1 (Homo sapiens (Human))	BDBM50271639 (CHEMBL4129433) Show SMILES CCn1nc(-c2ccccn2)c2sccc2c1=O Show InChI InChI=1S/C13H11N3OS/c1-2-16-13(17)9-6-8-18-12(9)11(15-16)10-5-3-4-7-14-10/h3-8H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	782	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method				Bioorg Med Chem Lett 28: 1484-1489 (2018) Article DOI: 10.1016/j.bmcl.2018.03.086 BindingDB Entry DOI: 10.7270/Q2HD7Z5W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50271639 (CHEMBL4129433) Show SMILES CCn1nc(-c2ccccn2)c2sccc2c1=O Show InChI InChI=1S/C13H11N3OS/c1-2-16-13(17)9-6-8-18-12(9)11(15-16)10-5-3-4-7-14-10/h3-8H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from recombinant human A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting me...				Bioorg Med Chem Lett 28: 1484-1489 (2018) Article DOI: 10.1016/j.bmcl.2018.03.086 BindingDB Entry DOI: 10.7270/Q2HD7Z5W
					More data for this Ligand-Target Pair