BDBM50420419 CHEMBL2089337

SMILES: CONc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1

InChI Key: InChIKey=BLFOHLWQFMLDAJ-NFIDOXACSA-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 = 50420419   

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 A3 (Homo sapiens (Human))	BDBM50420419 (CHEMBL2089337) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19N5O3/c1-28-24-19-15-20(23-14(22-19)8-7-11-5-3-2-4-6-11)25(10-21-15)16-12-9-13(12)17(26)18(16)27/h2-6,10,12-13,16-18,26-27H,9H2,1H3,(H,22,23,24)/t12-,13+,16+,17+,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Partial agonist activity at human A3 adenosine receptor				J Med Chem 56: 3749-67 (2013) Article DOI: 10.1021/jm400422s BindingDB Entry DOI: 10.7270/Q2N58NR0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50420419 (CHEMBL2089337) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H19N5O3/c1-28-24-19-15-20(23-14(22-19)8-7-11-5-3-2-4-6-11)25(10-21-15)16-12-9-13(12)17(26)18(16)27/h2-6,10,12-13,16-18,26-27H,9H2,1H3,(H,22,23,24)/t12-,13+,16+,17+,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 596-601 (2012) Article DOI: 10.1021/ml300107e BindingDB Entry DOI: 10.7270/Q2HD7WXX
					More data for this Ligand-Target Pair