BDBM50267535 2-Chloro-N6-cyclopentyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine::CHEMBL489226

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

InChI Key: InChIKey=BCVLVMKKFUPZOJ-WJUSGVQTSA-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 = 50267535   

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))	BDBM50267535 (2-Chloro-N6-cyclopentyl-9H-[2-C-methyl-5-deoxy-5-(...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C22H25ClFN5O3S/c1-22(31)17(30)14(10-33-15-9-5-4-8-13(15)24)32-20(22)29-11-25-16-18(26-12-6-2-3-7-12)27-21(23)28-19(16)29/h4-5,8-9,11-12,14,17,20,30-31H,2-3,6-7,10H2,1H3,(H,26,27,28)/t14-,17-,20-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+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]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 A1 (Homo sapiens (Human))	BDBM50267535 (2-Chloro-N6-cyclopentyl-9H-[2-C-methyl-5-deoxy-5-(...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C22H25ClFN5O3S/c1-22(31)17(30)14(10-33-15-9-5-4-8-13(15)24)32-20(22)29-11-25-16-18(26-12-6-2-3-7-12)27-21(23)28-19(16)29/h4-5,8-9,11-12,14,17,20,30-31H,2-3,6-7,10H2,1H3,(H,26,27,28)/t14-,17-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15E+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]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 A2b (Homo sapiens (Human))	BDBM50267535 (2-Chloro-N6-cyclopentyl-9H-[2-C-methyl-5-deoxy-5-(...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C22H25ClFN5O3S/c1-22(31)17(30)14(10-33-15-9-5-4-8-13(15)24)32-20(22)29-11-25-16-18(26-12-6-2-3-7-12)27-21(23)28-19(16)29/h4-5,8-9,11-12,14,17,20,30-31H,2-3,6-7,10H2,1H3,(H,26,27,28)/t14-,17-,20-,22-/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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50267535 (2-Chloro-N6-cyclopentyl-9H-[2-C-methyl-5-deoxy-5-(...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C22H25ClFN5O3S/c1-22(31)17(30)14(10-33-15-9-5-4-8-13(15)24)32-20(22)29-11-25-16-18(26-12-6-2-3-7-12)27-21(23)28-19(16)29/h4-5,8-9,11-12,14,17,20,30-31H,2-3,6-7,10H2,1H3,(H,26,27,28)/t14-,17-,20-,22-/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	>1.00E+5	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