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SMILES: COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1

InChI Key: InChIKey=JSBYWPLAHJGGCH-LBPRGKRZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50266503   

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))	BDBM50266503 (CHEMBL456068 | N-[6-((S)-2-Methoxymethylpyrrolidin...) Show SMILES COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 |r| Show InChI InChI=1S/C16H20N4O2S/c1-11(21)17-14-9-15(20-7-3-5-12(20)10-22-2)19-16(18-14)13-6-4-8-23-13/h4,6,8-9,12H,3,5,7,10H2,1-2H3,(H,17,18,19,21)/t12-/m0/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	27	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))	BDBM50266503 (CHEMBL456068 | N-[6-((S)-2-Methoxymethylpyrrolidin...) Show SMILES COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 |r| Show InChI InChI=1S/C16H20N4O2S/c1-11(21)17-14-9-15(20-7-3-5-12(20)10-22-2)19-16(18-14)13-6-4-8-23-13/h4,6,8-9,12H,3,5,7,10H2,1-2H3,(H,17,18,19,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	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