BDBM50370524 CHEMBL610837

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

InChI Key: InChIKey=LAJROYQOKUALFD-BITNSZHFSA-N

Data: 3 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 3 hits for monomerid = 50370524   

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))	BDBM50370524 (CHEMBL610837) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCC)ncnc12 |r| Show InChI InChI=1S/C21H26N8O7S/c1-3-22-19(32)16-14(30)15(31)20(36-16)29-10-25-13-17(23-9-24-18(13)29)28-21(33)27-11-5-7-12(8-6-11)37(34,35)26-4-2/h5-10,14-16,20,26,30-31H,3-4H2,1-2H3,(H,22,32)(H2,23,24,27,28,33)/t14-,15+,16-,20?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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))	BDBM50370524 (CHEMBL610837) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCC)ncnc12 |r| Show InChI InChI=1S/C21H26N8O7S/c1-3-22-19(32)16-14(30)15(31)20(36-16)29-10-25-13-17(23-9-24-18(13)29)28-21(33)27-11-5-7-12(8-6-11)37(34,35)26-4-2/h5-10,14-16,20,26,30-31H,3-4H2,1-2H3,(H,22,32)(H2,23,24,27,28,33)/t14-,15+,16-,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	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))	BDBM50370524 (CHEMBL610837) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCC)ncnc12 |r| Show InChI InChI=1S/C21H26N8O7S/c1-3-22-19(32)16-14(30)15(31)20(36-16)29-10-25-13-17(23-9-24-18(13)29)28-21(33)27-11-5-7-12(8-6-11)37(34,35)26-4-2/h5-10,14-16,20,26,30-31H,3-4H2,1-2H3,(H,22,32)(H2,23,24,27,28,33)/t14-,15+,16-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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