BDBM50493156 CHEMBL2419150

SMILES: Brc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1

InChI Key: InChIKey=QEFPHPOWHSXBBC-LPYMAVHISA-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 = 50493156   

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))	BDBM50493156 (CHEMBL2419150) Show SMILES Brc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1 Show InChI InChI=1S/C19H14BrN3S2/c20-16-8-6-15(7-9-16)13-22-18-17(12-21)25-19(24)23(18)11-10-14-4-2-1-3-5-14/h1-9,13H,10-11H2/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493156 (CHEMBL2419150) Show SMILES Brc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1 Show InChI InChI=1S/C19H14BrN3S2/c20-16-8-6-15(7-9-16)13-22-18-17(12-21)25-19(24)23(18)11-10-14-4-2-1-3-5-14/h1-9,13H,10-11H2/b22-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair