BDBM50152069 2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-methylamino-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL359991

SMILES: CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1

InChI Key: InChIKey=OFZVELXCUDZJHE-BROWDQIMSA-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 = 50152069   

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))	BDBM50152069 (2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-methylamino-puri...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C21H23N7O4/c1-22-19-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-18(25-19)13-7-24-27(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,14,16-17,21,29-31H,8,10H2,1H3,(H,22,25,26)/t14-,16-,17-,21?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50152069 (2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-methylamino-puri...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C21H23N7O4/c1-22-19-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-18(25-19)13-7-24-27(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,14,16-17,21,29-31H,8,10H2,1H3,(H,22,25,26)/t14-,16-,17-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50152069 (2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-methylamino-puri...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C21H23N7O4/c1-22-19-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-18(25-19)13-7-24-27(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,14,16-17,21,29-31H,8,10H2,1H3,(H,22,25,26)/t14-,16-,17-,21?/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
					More data for this Ligand-Target Pair