BDBM50455607 2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (16a)::CHEMBL2113480

SMILES: CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2n1

InChI Key: InChIKey=XKJDQMIBXVCPBQ-MEQWQQMJSA-N

Data: 2 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 2 hits for monomerid = 50455607   

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))	BDBM50455607 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2n1 |r| Show InChI InChI=1S/C16H20N6O4/c1-2-3-4-5-6-8-20-13(17)9-15(21-8)22(7-19-9)16-11(24)10(23)12(26-16)14(18)25/h7,10-12,16,23-24H,2-4H2,1H3,(H2,18,25)(H2,17,20,21)/t10-,11+,12-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from rat striatum using [3H]NECA as radioligand.				J Med Chem 35: 2881-90 (1992) BindingDB Entry DOI: 10.7270/Q22B8ZMC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50455607 (2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2n1 |r| Show InChI InChI=1S/C16H20N6O4/c1-2-3-4-5-6-8-20-13(17)9-15(21-8)22(7-19-9)16-11(24)10(23)12(26-16)14(18)25/h7,10-12,16,23-24H,2-4H2,1H3,(H2,18,25)(H2,17,20,21)/t10-,11+,12-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.				J Med Chem 35: 2881-90 (1992) BindingDB Entry DOI: 10.7270/Q22B8ZMC
					More data for this Ligand-Target Pair