BDBM50366243 CHEMBL608747

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)[nH]c(=O)nc12

InChI Key: InChIKey=RJLJKKRTCABPDQ-FJFSNTMWSA-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 = 50366243   

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))	BDBM50366243 (CHEMBL608747) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)[nH]c(=O)nc12 |r| Show InChI InChI=1S/C16H23N5O5/c22-6-9-11(23)12(24)15(26-9)21-7-17-10-13(19-16(25)20-14(10)21)18-8-4-2-1-3-5-8/h7-9,11-12,15,22-24H,1-6H2,(H2,18,19,20,25)/t9-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes				Bioorg Med Chem Lett 1: 481-486 (1991) Article DOI: 10.1016/S0960-894X(01)81110-0 BindingDB Entry DOI: 10.7270/Q2K64JJ8
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50366243 (CHEMBL608747) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)[nH]c(=O)nc12 |r| Show InChI InChI=1S/C16H23N5O5/c22-6-9-11(23)12(24)15(26-9)21-7-17-10-13(19-16(25)20-14(10)21)18-8-4-2-1-3-5-8/h7-9,11-12,15,22-24H,1-6H2,(H2,18,19,20,25)/t9-,11-,12-,15?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes				Bioorg Med Chem Lett 1: 481-486 (1991) Article DOI: 10.1016/S0960-894X(01)81110-0 BindingDB Entry DOI: 10.7270/Q2K64JJ8
					More data for this Ligand-Target Pair