BDBM50500485 CHEMBL3745803

SMILES: CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1

InChI Key: InChIKey=WESMFTUKYUALDR-UHFFFAOYSA-N

Data: 2 KI  1 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50500485   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50500485 (CHEMBL3745803) Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1 Show InChI InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50500485 (CHEMBL3745803) Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1 Show InChI InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem	Article PubMed	5.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50500485 (CHEMBL3745803) Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1 Show InChI InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Competitive antagonist activity at YFP linked human adenosine A3 receptor expressed in CHO CRE-SPAP cells assessed as inhibition of NECA-induced rece...				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair