BDBM50368577 CHEMBL604242

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12

InChI Key: InChIKey=LLDGSWFLUWHPQB-OYBGHCQBSA-N

Data: 1 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 1 hit for monomerid = 50368577   

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 A1 receptor (GUINEA PIG)	BDBM50368577 (CHEMBL604242) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12 |r| Show InChI InChI=1S/C14H19N5O4/c20-4-8-10(21)11(22)14(23-8)19-6-18-9-12(15-3-7-1-2-7)16-5-17-13(9)19/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,17)/t8-,10-,11-,14?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes				J Med Chem 35: 924-30 (1992) BindingDB Entry DOI: 10.7270/Q2NS0VJZ
					More data for this Ligand-Target Pair