BDBM50360190 CHEMBL1927630

SMILES: O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1

InChI Key: InChIKey=GDLVJMXEOLUIFY-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 = 50360190   

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))	BDBM50360190 (CHEMBL1927630) Show SMILES O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1 Show InChI InChI=1S/C21H14N6O3/c28-18(14-8-3-1-4-9-14)23-20-25-21(30-15-10-5-2-6-11-15)24-19-22-17(26-27(19)20)16-12-7-13-29-16/h1-13H,(H,22,23,24,25,26,28)	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	1.00E+3	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))	BDBM50360190 (CHEMBL1927630) Show SMILES O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1 Show InChI InChI=1S/C21H14N6O3/c28-18(14-8-3-1-4-9-14)23-20-25-21(30-15-10-5-2-6-11-15)24-19-22-17(26-27(19)20)16-12-7-13-29-16/h1-13H,(H,22,23,24,25,26,28)	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+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