BDBM50210814 CHEMBL3977929

SMILES: Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1

InChI Key: InChIKey=OLHJFBKEAWWWSM-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 = 50210814   

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 A1 (Homo sapiens (Human))	BDBM50210814 (CHEMBL3977929) Show SMILES Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C20H15N3/c21-20-22-13-18(19(23-20)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210814 (CHEMBL3977929) Show SMILES Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C20H15N3/c21-20-22-13-18(19(23-20)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	129	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