BDBM50366578 CHEMBL609547

SMILES: OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](Cc4ccccc4)CN3C=Nc12

InChI Key: InChIKey=RRIMGHYVFLDJCX-GHGWNVDSSA-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 = 50366578   

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))	BDBM50366578 (CHEMBL609547) Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14| Show InChI InChI=1S/C19H21N5O4/c25-8-13-15(26)16(27)19(28-13)24-10-20-14-17(24)21-9-23-7-12(22-18(14)23)6-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19,25-27H,6-8H2/t12-,13-,15-,16-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Binding affinity for rat brain Adenosine A1 receptor				Bioorg Med Chem Lett 8: 695-8 (1999) BindingDB Entry DOI: 10.7270/Q2X63NGB
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50366578 (CHEMBL609547) Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14| Show InChI InChI=1S/C19H21N5O4/c25-8-13-15(26)16(27)19(28-13)24-10-20-14-17(24)21-9-23-7-12(22-18(14)23)6-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19,25-27H,6-8H2/t12-,13-,15-,16-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor from rat striata				Bioorg Med Chem Lett 8: 695-8 (1999) BindingDB Entry DOI: 10.7270/Q2X63NGB
					More data for this Ligand-Target Pair