BDBM50009513 2-[2-(2-Adamantan-1-yl-ethylamino)-6-amino-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL2374399

SMILES: Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=NZTGXHDFIDBCMK-DNZVOROCSA-N

Data: 2 IC50

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 2 hits for monomerid = 50009513   

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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50009513 (2-[2-(2-Adamantan-1-yl-ethylamino)-6-amino-purin-9...) Show SMILES Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:14:9:16:13.15.12,14:13:16:9.8.10,THB:12:11:8:13.15.14,12:13:8:11.16.10| Show InChI InChI=1S/C22H32N6O4/c23-18-15-19(28(10-25-15)20-17(31)16(30)14(9-29)32-20)27-21(26-18)24-2-1-22-6-11-3-12(7-22)5-13(4-11)8-22/h10-14,16-17,20,29-31H,1-9H2,(H3,23,24,26,27)/t11?,12?,13?,14-,16-,17-,20-,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor				J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50009513 (2-[2-(2-Adamantan-1-yl-ethylamino)-6-amino-purin-9...) Show SMILES Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:14:9:16:13.15.12,14:13:16:9.8.10,THB:12:11:8:13.15.14,12:13:8:11.16.10| Show InChI InChI=1S/C22H32N6O4/c23-18-15-19(28(10-25-15)20-17(31)16(30)14(9-29)32-20)27-21(26-18)24-2-1-22-6-11-3-12(7-22)5-13(4-11)8-22/h10-14,16-17,20,29-31H,1-9H2,(H3,23,24,26,27)/t11?,12?,13?,14-,16-,17-,20-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor				J Med Chem 34: 2570-9 (1991) BindingDB Entry DOI: 10.7270/Q2BZ66NN
					More data for this Ligand-Target Pair