BDBM50369378 CHEMBL606438

SMILES: Nc1ncnc2n(cnc12)C1O[C@H]([C@@H](O)C#C)[C@@H](O)[C@H]1O

InChI Key: InChIKey=HDHDZFOKOBYFND-QHHQSULJSA-N

Data: 1 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 1 hit for monomerid = 50369378   

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))	BDBM50369378 (CHEMBL606438) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H]([C@@H](O)C#C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H13N5O4/c1-2-5(18)9-7(19)8(20)12(21-9)17-4-16-6-10(13)14-3-15-11(6)17/h1,3-5,7-9,12,18-20H,(H2,13,14,15)/t5-,7-,8+,9+,12?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of [3H]- DPCPX binding to Adenosine A1 receptor ofrat brain membranes				J Med Chem 41: 2676-8 (1998) Article DOI: 10.1021/jm9802822 BindingDB Entry DOI: 10.7270/Q2NC61WN
					More data for this Ligand-Target Pair