BDBM50367495 CHEMBL607951

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(I)c3)ncnc12

InChI Key: InChIKey=ALPVYHVPUBJWEV-AARXTDBFSA-N

Data: 2 IC50

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 = 50367495   

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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367495 (CHEMBL607951) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C16H16IN5O4/c17-8-2-1-3-9(4-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane				J Med Chem 30: 954-6 (1987) BindingDB Entry DOI: 10.7270/Q2PN967D
					More data for this Ligand-Target Pair
ADORA1 (Chick)	BDBM50367495 (CHEMBL607951) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C16H16IN5O4/c17-8-2-1-3-9(4-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane				J Med Chem 30: 954-6 (1987) BindingDB Entry DOI: 10.7270/Q2PN967D
					More data for this Ligand-Target Pair