BDBM50455772 CHEMBL2113574

SMILES: N.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccc(cc3)S(O)(=O)=O)ncnc12

InChI Key: InChIKey=BGGWHMBTSMMTAM-WQDVGBTGSA-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 = 50455772   

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))	BDBM50455772 (CHEMBL2113574) Show SMILES N.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccc(cc3)S(O)(=O)=O)ncnc12 |r| Show InChI InChI=1S/C20H25N5O7S.H3N/c26-9-14-16(27)17(28)20(32-14)25-11-24-15-18(22-10-23-19(15)25)21-8-2-1-3-12-4-6-13(7-5-12)33(29,30)31;/h4-7,10-11,14,16-17,20,26-28H,1-3,8-9H2,(H,21,22,23)(H,29,30,31);1H3/t14-,16-,17-,20-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	432	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor at rat cortical receptors using 1 nM [3H]PIA				J Med Chem 35: 4143-9 (1992) BindingDB Entry DOI: 10.7270/Q2XG9RSN
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50455772 (CHEMBL2113574) Show SMILES N.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccc(cc3)S(O)(=O)=O)ncnc12 |r| Show InChI InChI=1S/C20H25N5O7S.H3N/c26-9-14-16(27)17(28)20(32-14)25-11-24-15-18(22-10-23-19(15)25)21-8-2-1-3-12-4-6-13(7-5-12)33(29,30)31;/h4-7,10-11,14,16-17,20,26-28H,1-3,8-9H2,(H,21,22,23)(H,29,30,31);1H3/t14-,16-,17-,20-;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Affinity for adenosine A2 receptor at rat striatal membrane using 5 nM [3H]CGS-21680				J Med Chem 35: 4143-9 (1992) BindingDB Entry DOI: 10.7270/Q2XG9RSN
					More data for this Ligand-Target Pair