BDBM50315541 8-(2-Thioxo-7(3-allyl)-2-(2-furyl)thiazole[4,3-e]1,2,4-triazolo[1, 5-c]pyrimidine::CHEMBL1092271

SMILES: C=CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1

InChI Key: InChIKey=NCNRJOXPEWXOGN-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 = 50315541   

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))	BDBM50315541 (8-(2-Thioxo-7(3-allyl)-2-(2-furyl)thiazole[4,3-e]1...) Show SMILES C=CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C13H9N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h2-4,6-7H,1,5H2	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	0.0160	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 adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315541 (8-(2-Thioxo-7(3-allyl)-2-(2-furyl)thiazole[4,3-e]1...) Show SMILES C=CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C13H9N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h2-4,6-7H,1,5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.0	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 adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair