null

SMILES: COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(n1)-n1nc(C)cc1C

InChI Key: InChIKey=NGBUOZZQRKAQRL-CYBMUJFWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50255188   

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))	BDBM50255188 (CHEMBL480444 | [2-(3,5-Dimethylpyrazol-1-yl)-6-((R...) Show SMILES COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(n1)-n1nc(C)cc1C |r| Show InChI InChI=1S/C17H24N6O3/c1-11-8-12(2)23(21-11)16-18-14(19-17(24)26-4)9-15(20-16)22-7-5-6-13(22)10-25-3/h8-9,13H,5-7,10H2,1-4H3,(H,18,19,20,24)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50255188 (CHEMBL480444 | [2-(3,5-Dimethylpyrazol-1-yl)-6-((R...) Show SMILES COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(n1)-n1nc(C)cc1C |r| Show InChI InChI=1S/C17H24N6O3/c1-11-8-12(2)23(21-11)16-18-14(19-17(24)26-4)9-15(20-16)22-7-5-6-13(22)10-25-3/h8-9,13H,5-7,10H2,1-4H3,(H,18,19,20,24)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
					More data for this Ligand-Target Pair