BDBM50360213 CHEMBL1927440

SMILES: Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccccc1

InChI Key: InChIKey=CMRHPKUITVWMDE-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50360213   

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))	BDBM50360213 (CHEMBL1927440) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H18N8O2/c20-17-22-18(23-19-21-15(24-27(17)19)14-7-4-12-29-14)26-10-8-25(9-11-26)16(28)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,20,21,22,23,24)	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	348	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 A2b (Homo sapiens (Human))	BDBM50360213 (CHEMBL1927440) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H18N8O2/c20-17-22-18(23-19-21-15(24-27(17)19)14-7-4-12-29-14)26-10-8-25(9-11-26)16(28)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,20,21,22,23,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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