BDBM50451381 CHEMBL38779

SMILES: I.COc1ccc2-c3nc(N)sc3CCc2c1

InChI Key: InChIKey=WVBJVQQYYLULNU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50451381   

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))	BDBM50451381 (CHEMBL38779) Show SMILES I.COc1ccc2-c3nc(N)sc3CCc2c1 Show InChI InChI=1S/C12H12N2OS.HI/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description AE maximal score at Adenosine A2A receptor				Bioorg Med Chem Lett 12: 1563-6 (2002) BindingDB Entry DOI: 10.7270/Q2833RBV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50451381 (CHEMBL38779) Show SMILES I.COc1ccc2-c3nc(N)sc3CCc2c1 Show InChI InChI=1S/C12H12N2OS.HI/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.70	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description AE maximal score at Adenosine A1 receptor				Bioorg Med Chem Lett 12: 1563-6 (2002) BindingDB Entry DOI: 10.7270/Q2833RBV
					More data for this Ligand-Target Pair