BDBM50454671 CHEMBL2112622

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O

InChI Key: InChIKey=URKWAYNTTAZUBI-YBLQJDFOSA-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 = 50454671   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50454671 (CHEMBL2112622) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O Show InChI InChI=1S/C20H30N6O4/c21-18-16-19(23-10-22-18)26(11-24-16)20-17(29)15(13(9-27)30-20)25-14(28)8-4-7-12-5-2-1-3-6-12/h10-13,15,17,20,27,29H,1-9H2,(H,25,28)(H2,21,22,23)/t13-,15+,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454671 (CHEMBL2112622) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O Show InChI InChI=1S/C20H30N6O4/c21-18-16-19(23-10-22-18)26(11-24-16)20-17(29)15(13(9-27)30-20)25-14(28)8-4-7-12-5-2-1-3-6-12/h10-13,15,17,20,27,29H,1-9H2,(H,25,28)(H2,21,22,23)/t13-,15+,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454671 (CHEMBL2112622) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O Show InChI InChI=1S/C20H30N6O4/c21-18-16-19(23-10-22-18)26(11-24-16)20-17(29)15(13(9-27)30-20)25-14(28)8-4-7-12-5-2-1-3-6-12/h10-13,15,17,20,27,29H,1-9H2,(H,25,28)(H2,21,22,23)/t13-,15+,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair