BDBM50152075 2-{2-[4-(4-Chloro-phenyl)-pyrazol-1-yl]-6-methylamino-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL365642

SMILES: CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1

InChI Key: InChIKey=YOMQVZJICIFAEN-XAUNWSGPSA-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 = 50152075   

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))	BDBM50152075 (2-{2-[4-(4-Chloro-phenyl)-pyrazol-1-yl]-6-methylam...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN7O4/c1-22-17-14-18(27(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)28-7-11(6-24-28)10-2-4-12(21)5-3-10/h2-7,9,13,15-16,19,29-31H,8H2,1H3,(H,22,25,26)/t13-,15-,16-,19?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 A2a (Homo sapiens (Human))	BDBM50152075 (2-{2-[4-(4-Chloro-phenyl)-pyrazol-1-yl]-6-methylam...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN7O4/c1-22-17-14-18(27(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)28-7-11(6-24-28)10-2-4-12(21)5-3-10/h2-7,9,13,15-16,19,29-31H,8H2,1H3,(H,22,25,26)/t13-,15-,16-,19?/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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50152075 (2-{2-[4-(4-Chloro-phenyl)-pyrazol-1-yl]-6-methylam...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN7O4/c1-22-17-14-18(27(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)28-7-11(6-24-28)10-2-4-12(21)5-3-10/h2-7,9,13,15-16,19,29-31H,8H2,1H3,(H,22,25,26)/t13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+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]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