null

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

InChI Key: InChIKey=YTKSXAKMPSEYMJ-QCUYGVNKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 65453   

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 A2a (Rattus norvegicus (rat))	BDBM65453 (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(=O)NC(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O4/c1-4-5-6-7-8-11-23-16(20)12-17(24-11)25(9-21-12)19-14(27)13(26)15(29-19)18(28)22-10(2)3/h9-10,13-15,19,26-27H,4-6H2,1-3H3,(H,22,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	44	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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM65453 (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(=O)NC(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O4/c1-4-5-6-7-8-11-23-16(20)12-17(24-11)25(9-21-12)19-14(27)13(26)15(29-19)18(28)22-10(2)3/h9-10,13-15,19,26-27H,4-6H2,1-3H3,(H,22,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.81E+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