BDBM50453664 CHEMBL2094002

SMILES: CNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key: InChIKey=RIXRHKHRKDXAQQ-XNISGKROSA-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 = 50453664   

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 and A3 (Rattus norvegicus)	BDBM50453664 (CHEMBL2094002) Show SMILES CNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C19H21IN6O3/c1-21-19(29)12-6-13(16(28)15(12)27)26-9-25-14-17(23-8-24-18(14)26)22-7-10-3-2-4-11(20)5-10/h2-5,8-9,12-13,15-16,27-28H,6-7H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,15+,16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.95E+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 Binding affinity against adenosine A3 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453664 (CHEMBL2094002) Show SMILES CNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C19H21IN6O3/c1-21-19(29)12-6-13(16(28)15(12)27)26-9-25-14-17(23-8-24-18(14)26)22-7-10-3-2-4-11(20)5-10/h2-5,8-9,12-13,15-16,27-28H,6-7H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,15+,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.59E+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 Binding affinity against adenosine A1 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
					More data for this Ligand-Target Pair