BDBM50267478 2-Chloro-N6-cyclopentyl-9H-[5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine::CHEMBL477667

SMILES: O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12

InChI Key: InChIKey=XRENBVUKDQUOEX-AEVYOOLXSA-N

Data: 4 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 4 hits for monomerid = 50267478   

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))	BDBM50267478 (2-Chloro-N6-cyclopentyl-9H-[5-deoxy-5-(2-fluorophe...) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H23ClFN5O3S/c22-21-26-18(25-11-5-1-2-6-11)15-19(27-21)28(10-24-15)20-17(30)16(29)13(31-20)9-32-14-8-4-3-7-12(14)23/h3-4,7-8,10-11,13,16-17,20,29-30H,1-2,5-6,9H2,(H,25,26,27)/t13-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50267478 (2-Chloro-N6-cyclopentyl-9H-[5-deoxy-5-(2-fluorophe...) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H23ClFN5O3S/c22-21-26-18(25-11-5-1-2-6-11)15-19(27-21)28(10-24-15)20-17(30)16(29)13(31-20)9-32-14-8-4-3-7-12(14)23/h3-4,7-8,10-11,13,16-17,20,29-30H,1-2,5-6,9H2,(H,25,26,27)/t13-,16-,17-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50267478 (2-Chloro-N6-cyclopentyl-9H-[5-deoxy-5-(2-fluorophe...) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H23ClFN5O3S/c22-21-26-18(25-11-5-1-2-6-11)15-19(27-21)28(10-24-15)20-17(30)16(29)13(31-20)9-32-14-8-4-3-7-12(14)23/h3-4,7-8,10-11,13,16-17,20,29-30H,1-2,5-6,9H2,(H,25,26,27)/t13-,16-,17-,20-/m1/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	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50267478 (2-Chloro-N6-cyclopentyl-9H-[5-deoxy-5-(2-fluorophe...) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H23ClFN5O3S/c22-21-26-18(25-11-5-1-2-6-11)15-19(27-21)28(10-24-15)20-17(30)16(29)13(31-20)9-32-14-8-4-3-7-12(14)23/h3-4,7-8,10-11,13,16-17,20,29-30H,1-2,5-6,9H2,(H,25,26,27)/t13-,16-,17-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair