BDBM50047992 CHEMBL3314889

SMILES: CCCCCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1

InChI Key: InChIKey=BYVXDGHIVFXMHD-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 = 50047992   

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))	BDBM50047992 (CHEMBL3314889) Show SMILES CCCCCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H21N5O3/c1-3-5-6-9-18-17-19-11-12(16(23)24-4-2)15-20-14(21-22(15)17)13-8-7-10-25-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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 A2a (Homo sapiens (Human))	BDBM50047992 (CHEMBL3314889) Show SMILES CCCCCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H21N5O3/c1-3-5-6-9-18-17-19-11-12(16(23)24-4-2)15-20-14(21-22(15)17)13-8-7-10-25-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,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	50	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))	BDBM50047992 (CHEMBL3314889) Show SMILES CCCCCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H21N5O3/c1-3-5-6-9-18-17-19-11-12(16(23)24-4-2)15-20-14(21-22(15)17)13-8-7-10-25-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	613	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 A2b (Homo sapiens (Human))	BDBM50047992 (CHEMBL3314889) Show SMILES CCCCCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C17H21N5O3/c1-3-5-6-9-18-17-19-11-12(16(23)24-4-2)15-20-14(21-22(15)17)13-8-7-10-25-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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