BDBM50370531 CHEMBL608755

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

InChI Key: InChIKey=SIKVQYFPRNFSGT-OFRRTHGGSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50370531   

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))	BDBM50370531 (CHEMBL608755) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C(C)C)ncnc12 |r| Show InChI InChI=1S/C23H30N8O7S/c1-5-24-21(34)18-16(32)17(33)22(38-18)31-11-27-15-19(25-10-26-20(15)31)29-23(35)28-13-6-8-14(9-7-13)39(36,37)30(4)12(2)3/h6-12,16-18,22,32-33H,5H2,1-4H3,(H,24,34)(H2,25,26,28,29,35)/t16-,17+,18-,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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))	BDBM50370531 (CHEMBL608755) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C(C)C)ncnc12 |r| Show InChI InChI=1S/C23H30N8O7S/c1-5-24-21(34)18-16(32)17(33)22(38-18)31-11-27-15-19(25-10-26-20(15)31)29-23(35)28-13-6-8-14(9-7-13)39(36,37)30(4)12(2)3/h6-12,16-18,22,32-33H,5H2,1-4H3,(H,24,34)(H2,25,26,28,29,35)/t16-,17+,18-,22?/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
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))	BDBM50370531 (CHEMBL608755) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C(C)C)ncnc12 |r| Show InChI InChI=1S/C23H30N8O7S/c1-5-24-21(34)18-16(32)17(33)22(38-18)31-11-27-15-19(25-10-26-20(15)31)29-23(35)28-13-6-8-14(9-7-13)39(36,37)30(4)12(2)3/h6-12,16-18,22,32-33H,5H2,1-4H3,(H,24,34)(H2,25,26,28,29,35)/t16-,17+,18-,22?/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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50370531 (CHEMBL608755) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C(C)C)ncnc12 |r| Show InChI InChI=1S/C23H30N8O7S/c1-5-24-21(34)18-16(32)17(33)22(38-18)31-11-27-15-19(25-10-26-20(15)31)29-23(35)28-13-6-8-14(9-7-13)39(36,37)30(4)12(2)3/h6-12,16-18,22,32-33H,5H2,1-4H3,(H,24,34)(H2,25,26,28,29,35)/t16-,17+,18-,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of (10 uM) forskolin-mediated cAMP production in CHO cells expressing human Adenosine A3 receptor				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