BDBM50210801 CHEMBL3969553

SMILES: Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1

InChI Key: InChIKey=JWCUKDBKJOKOJS-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 = 50210801   

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))	BDBM50210801 (CHEMBL3969553) Show SMILES Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210801 (CHEMBL3969553) Show SMILES Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair