BDBM50542172 CHEMBL4632760

SMILES: CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncco1

InChI Key: InChIKey=KROGYTVNKZCWBC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50542172   

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))	BDBM50542172 (CHEMBL4632760) Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncco1 |c:6| Show InChI InChI=1S/C18H18N4O3/c1-10(2)25-17(23)14-11(3)20-18-21-12-6-4-5-7-13(12)22(18)15(14)16-19-8-9-24-16/h4-10,15H,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method				J Med Chem 63: 7721-7739 (2020)
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50542172 (CHEMBL4632760) Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncco1 |c:6| Show InChI InChI=1S/C18H18N4O3/c1-10(2)25-17(23)14-11(3)20-18-21-12-6-4-5-7-13(12)22(18)15(14)16-19-8-9-24-16/h4-10,15H,1-3H3,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				J Med Chem 63: 7721-7739 (2020)
					More data for this Ligand-Target Pair