null

SMILES: CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)ncnc12

InChI Key: InChIKey=UWISFKOCNMHOGN-YSPQCQSRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50370537   

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 A3 (Homo sapiens (Human))	BDBM50370537 (CHEMBL610814) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C24H30N8O7S/c1-2-25-22(35)19-17(33)18(34)23(39-19)32-13-28-16-20(26-12-27-21(16)32)30-24(36)29-14-6-8-15(9-7-14)40(37,38)31-10-4-3-5-11-31/h6-9,12-13,17-19,23,33-34H,2-5,10-11H2,1H3,(H,25,35)(H2,26,27,29,30,36)/t17-,18+,19-,23?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA binding to Adenosine A3 receptor expressed in CHO cells				J Med Chem 47: 5535-40 (2004) Article DOI: 10.1021/jm0408161 BindingDB Entry DOI: 10.7270/Q23F4QDM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50370537 (CHEMBL610814) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C24H30N8O7S/c1-2-25-22(35)19-17(33)18(34)23(39-19)32-13-28-16-20(26-12-27-21(16)32)30-24(36)29-14-6-8-15(9-7-14)40(37,38)31-10-4-3-5-11-31/h6-9,12-13,17-19,23,33-34H,2-5,10-11H2,1H3,(H,25,35)(H2,26,27,29,30,36)/t17-,18+,19-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CHA binding to Adenosine A1 receptor expressed in CHO cells				J Med Chem 47: 5535-40 (2004) Article DOI: 10.1021/jm0408161 BindingDB Entry DOI: 10.7270/Q23F4QDM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50370537 (CHEMBL610814) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C24H30N8O7S/c1-2-25-22(35)19-17(33)18(34)23(39-19)32-13-28-16-20(26-12-27-21(16)32)30-24(36)29-14-6-8-15(9-7-14)40(37,38)31-10-4-3-5-11-31/h6-9,12-13,17-19,23,33-34H,2-5,10-11H2,1H3,(H,25,35)(H2,26,27,29,30,36)/t17-,18+,19-,23?/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CGS-21680 binding to Adenosine A2 receptor expressed in CHO cells				J Med Chem 47: 5535-40 (2004) Article DOI: 10.1021/jm0408161 BindingDB Entry DOI: 10.7270/Q23F4QDM
					More data for this Ligand-Target Pair