BDBM50267397 CHEMBL515330::N6-Cyclopentyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine

SMILES: C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=NLIFRXPNXHCYSY-QTDMDRALSA-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 = 50267397   

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))	BDBM50267397 (CHEMBL515330 | N6-Cyclopentyl-9H-(2-C-methyl-5-chl...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C16H22ClN5O3/c1-16(24)12(23)10(6-17)25-15(16)22-8-20-11-13(18-7-19-14(11)22)21-9-4-2-3-5-9/h7-10,12,15,23-24H,2-6H2,1H3,(H,18,19,21)/t10-,12-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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))	BDBM50267397 (CHEMBL515330 | N6-Cyclopentyl-9H-(2-C-methyl-5-chl...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C16H22ClN5O3/c1-16(24)12(23)10(6-17)25-15(16)22-8-20-11-13(18-7-19-14(11)22)21-9-4-2-3-5-9/h7-10,12,15,23-24H,2-6H2,1H3,(H,18,19,21)/t10-,12-,15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.74E+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 A2b (Homo sapiens (Human))	BDBM50267397 (CHEMBL515330 | N6-Cyclopentyl-9H-(2-C-methyl-5-chl...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C16H22ClN5O3/c1-16(24)12(23)10(6-17)25-15(16)22-8-20-11-13(18-7-19-14(11)22)21-9-4-2-3-5-9/h7-10,12,15,23-24H,2-6H2,1H3,(H,18,19,21)/t10-,12-,15-,16-/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))	BDBM50267397 (CHEMBL515330 | N6-Cyclopentyl-9H-(2-C-methyl-5-chl...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C16H22ClN5O3/c1-16(24)12(23)10(6-17)25-15(16)22-8-20-11-13(18-7-19-14(11)22)21-9-4-2-3-5-9/h7-10,12,15,23-24H,2-6H2,1H3,(H,18,19,21)/t10-,12-,15-,16-/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