BDBM50047997 CHEMBL3314894

SMILES: CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1

InChI Key: InChIKey=XESJVEWZUYGSHL-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 = 50047997   

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))	BDBM50047997 (CHEMBL3314894) Show SMILES CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H23N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	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))	BDBM50047997 (CHEMBL3314894) Show SMILES CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H23N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,21)	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	121	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))	BDBM50047997 (CHEMBL3314894) Show SMILES CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H23N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	432	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))	BDBM50047997 (CHEMBL3314894) Show SMILES CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C19H23N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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