null

SMILES: C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O

InChI Key: InChIKey=RKZDSCCMCAQSRR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50092277   

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 A1 (Homo sapiens (Human))	BDBM50092277 (CHEMBL3581304) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C26H17N11O/c1-36-15-20-22(34-36)32-26(37-24(20)31-23(35-37)21-3-2-12-38-21)33-25(29-18-8-4-16(13-27)5-9-18)30-19-10-6-17(14-28)7-11-19/h2-12,15H,1H3,(H2,29,30,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis				J Med Chem 58: 5355-60 (2015) Article DOI: 10.1021/acs.jmedchem.5b00551 BindingDB Entry DOI: 10.7270/Q25X2BNW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50092277 (CHEMBL3581304) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C26H17N11O/c1-36-15-20-22(34-36)32-26(37-24(20)31-23(35-37)21-3-2-12-38-21)33-25(29-18-8-4-16(13-27)5-9-18)30-19-10-6-17(14-28)7-11-19/h2-12,15H,1H3,(H2,29,30,32,33,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis				J Med Chem 58: 5355-60 (2015) Article DOI: 10.1021/acs.jmedchem.5b00551 BindingDB Entry DOI: 10.7270/Q25X2BNW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50092277 (CHEMBL3581304) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C26H17N11O/c1-36-15-20-22(34-36)32-26(37-24(20)31-23(35-37)21-3-2-12-38-21)33-25(29-18-8-4-16(13-27)5-9-18)30-19-10-6-17(14-28)7-11-19/h2-12,15H,1H3,(H2,29,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis				J Med Chem 58: 5355-60 (2015) Article DOI: 10.1021/acs.jmedchem.5b00551 BindingDB Entry DOI: 10.7270/Q25X2BNW
					More data for this Ligand-Target Pair