BDBM50047978 CHEMBL3313941

SMILES: Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1

InChI Key: InChIKey=QSEZHCRHSSPFSF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50047978   

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))	BDBM50047978 (CHEMBL3313941) Show SMILES Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25)	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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50047978 (CHEMBL3313941) Show SMILES Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50047978 (CHEMBL3313941) Show SMILES Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50047978 (CHEMBL3313941) Show SMILES Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
					More data for this Ligand-Target Pair