BDBM50060840 CHEMBL340299::N-[(R)-5-(6-Cyclopentylamino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-4-methoxy-benzamide

SMILES: COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=QEWGNGQUYQBUKO-RVPDGLALSA-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 = 50060840   

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 (Rattus norvegicus (rat))	BDBM50060840 (CHEMBL340299 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O5/c1-33-15-8-6-13(7-9-15)22(32)28-17-16(10-30)34-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-14-4-2-3-5-14/h6-9,11-12,14,16-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060840 (CHEMBL340299 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O5/c1-33-15-8-6-13(7-9-15)22(32)28-17-16(10-30)34-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-14-4-2-3-5-14/h6-9,11-12,14,16-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50060840 (CHEMBL340299 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O5/c1-33-15-8-6-13(7-9-15)22(32)28-17-16(10-30)34-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-14-4-2-3-5-14/h6-9,11-12,14,16-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair