BDBM50370526 CHEMBL611092

SMILES: CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCc3ccccc3)ncnc12

InChI Key: InChIKey=CWOFCLDTHQQLNI-UZNLOIBPSA-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 = 50370526   

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))	BDBM50370526 (CHEMBL611092) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C26H28N8O7S/c1-2-27-24(37)21-19(35)20(36)25(41-21)34-14-30-18-22(28-13-29-23(18)34)33-26(38)32-16-8-10-17(11-9-16)42(39,40)31-12-15-6-4-3-5-7-15/h3-11,13-14,19-21,25,31,35-36H,2,12H2,1H3,(H,27,37)(H2,28,29,32,33,38)/t19-,20+,21-,25?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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))	BDBM50370526 (CHEMBL611092) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C26H28N8O7S/c1-2-27-24(37)21-19(35)20(36)25(41-21)34-14-30-18-22(28-13-29-23(18)34)33-26(38)32-16-8-10-17(11-9-16)42(39,40)31-12-15-6-4-3-5-7-15/h3-11,13-14,19-21,25,31,35-36H,2,12H2,1H3,(H,27,37)(H2,28,29,32,33,38)/t19-,20+,21-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	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))	BDBM50370526 (CHEMBL611092) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C26H28N8O7S/c1-2-27-24(37)21-19(35)20(36)25(41-21)34-14-30-18-22(28-13-29-23(18)34)33-26(38)32-16-8-10-17(11-9-16)42(39,40)31-12-15-6-4-3-5-7-15/h3-11,13-14,19-21,25,31,35-36H,2,12H2,1H3,(H,27,37)(H2,28,29,32,33,38)/t19-,20+,21-,25?/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