BDBM50152076 2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-pyridin-2-yl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL362117

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1

InChI Key: InChIKey=QWTDGPJLRKNHEC-BPOYXTRHSA-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 = 50152076   

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))	BDBM50152076 (2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-pyr...) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1 Show InChI InChI=1S/C25H23IN8O4/c26-16-5-3-4-14(8-16)9-28-22-19-23(33(13-29-19)24-21(37)20(36)18(12-35)38-24)32-25(31-22)34-11-15(10-30-34)17-6-1-2-7-27-17/h1-8,10-11,13,18,20-21,24,35-37H,9,12H2,(H,28,31,32)/t18-,20-,21-,24?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	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))	BDBM50152076 (2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-pyr...) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1 Show InChI InChI=1S/C25H23IN8O4/c26-16-5-3-4-14(8-16)9-28-22-19-23(33(13-29-19)24-21(37)20(36)18(12-35)38-24)32-25(31-22)34-11-15(10-30-34)17-6-1-2-7-27-17/h1-8,10-11,13,18,20-21,24,35-37H,9,12H2,(H,28,31,32)/t18-,20-,21-,24?/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	>3.90E+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))	BDBM50152076 (2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-pyr...) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1 Show InChI InChI=1S/C25H23IN8O4/c26-16-5-3-4-14(8-16)9-28-22-19-23(33(13-29-19)24-21(37)20(36)18(12-35)38-24)32-25(31-22)34-11-15(10-30-34)17-6-1-2-7-27-17/h1-8,10-11,13,18,20-21,24,35-37H,9,12H2,(H,28,31,32)/t18-,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+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