BDBM50360202 CHEMBL1927428

SMILES: CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1

InChI Key: InChIKey=FUBARNMNIIXZSL-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50360202   

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))	BDBM50360202 (CHEMBL1927428) Show SMILES CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C16H22N8O3/c1-16(2,3)27-15(25)19-8-5-7-18-13-21-12(17)24-14(22-13)20-11(23-24)10-6-4-9-26-10/h4,6,9H,5,7-8H2,1-3H3,(H,19,25)(H3,17,18,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50360202 (CHEMBL1927428) Show SMILES CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C16H22N8O3/c1-16(2,3)27-15(25)19-8-5-7-18-13-21-12(17)24-14(22-13)20-11(23-24)10-6-4-9-26-10/h4,6,9H,5,7-8H2,1-3H3,(H,19,25)(H3,17,18,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	344	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50360202 (CHEMBL1927428) Show SMILES CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C16H22N8O3/c1-16(2,3)27-15(25)19-8-5-7-18-13-21-12(17)24-14(22-13)20-11(23-24)10-6-4-9-26-10/h4,6,9H,5,7-8H2,1-3H3,(H,19,25)(H3,17,18,20,21,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair