null

SMILES: Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCCC1

InChI Key: InChIKey=GTVXLSBWSPRRCQ-WLEDDMDJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50368329   

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))	BDBM50368329 (CHEMBL608298) Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCCC1 |r| Show InChI InChI=1S/C20H27N5O4/c21-18-15-19(25(11-22-15)20-17(28)16(27)13(10-26)29-20)24-14(23-18)9-5-4-8-12-6-2-1-3-7-12/h11-13,16-17,20,26-28H,1-4,6-8,10H2,(H2,21,23,24)/t13-,16-,17-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2A receptor in rat brain striatum				J Med Chem 44: 531-9 (2001) BindingDB Entry DOI: 10.7270/Q20Z740K
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50368329 (CHEMBL608298) Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCCC1 |r| Show InChI InChI=1S/C20H27N5O4/c21-18-15-19(25(11-22-15)20-17(28)16(27)13(10-26)29-20)24-14(23-18)9-5-4-8-12-6-2-1-3-7-12/h11-13,16-17,20,26-28H,1-4,6-8,10H2,(H2,21,23,24)/t13-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamasa Shoyu Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]NECA binding to adenosine A2 receptor from rat striatal membranes				J Med Chem 35: 2253-60 (1992) BindingDB Entry DOI: 10.7270/Q2VT1SQZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368329 (CHEMBL608298) Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCCC1 |r| Show InChI InChI=1S/C20H27N5O4/c21-18-15-19(25(11-22-15)20-17(28)16(27)13(10-26)29-20)24-14(23-18)9-5-4-8-12-6-2-1-3-7-12/h11-13,16-17,20,26-28H,1-4,6-8,10H2,(H2,21,23,24)/t13-,16-,17-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat brain cortex				J Med Chem 44: 531-9 (2001) BindingDB Entry DOI: 10.7270/Q20Z740K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368329 (CHEMBL608298) Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCCC1 |r| Show InChI InChI=1S/C20H27N5O4/c21-18-15-19(25(11-22-15)20-17(28)16(27)13(10-26)29-20)24-14(23-18)9-5-4-8-12-6-2-1-3-7-12/h11-13,16-17,20,26-28H,1-4,6-8,10H2,(H2,21,23,24)/t13-,16-,17-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamasa Shoyu Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]CHA binding to adenosine A1 receptor from rat brain membranes				J Med Chem 35: 2253-60 (1992) BindingDB Entry DOI: 10.7270/Q2VT1SQZ
					More data for this Ligand-Target Pair