BDBM50453668 CHEMBL2113686

SMILES: Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12

InChI Key: InChIKey=IQIXQKYLZKCEFF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50453668   

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))	BDBM50453668 (CHEMBL2113686) Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12 Show InChI InChI=1S/C18H15IN6S/c1-25-11-22-15-16(21-10-12-3-2-4-13(19)9-12)23-18(24-17(15)25)26-14-5-7-20-8-6-14/h2-9,11H,10H2,1H3,(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	840	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
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50453668 (CHEMBL2113686) Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12 Show InChI InChI=1S/C18H15IN6S/c1-25-11-22-15-16(21-10-12-3-2-4-13(19)9-12)23-18(24-17(15)25)26-14-5-7-20-8-6-14/h2-9,11H,10H2,1H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+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 A2A 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 A2a and A3 (Rattus norvegicus)	BDBM50453668 (CHEMBL2113686) Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12 Show InChI InChI=1S/C18H15IN6S/c1-25-11-22-15-16(21-10-12-3-2-4-13(19)9-12)23-18(24-17(15)25)26-14-5-7-20-8-6-14/h2-9,11H,10H2,1H3,(H,21,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.66E+5	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