BDBM50453659 CHEMBL2113692

SMILES: CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1

InChI Key: InChIKey=XBNTWQABLLKTFL-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 = 50453659   

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))	BDBM50453659 (CHEMBL2113692) Show SMILES CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1 Show InChI InChI=1S/C15H17IN6/c1-21(2)15-19-13(12-14(20-15)22(3)9-18-12)17-8-10-5-4-6-11(16)7-10/h4-7,9H,8H2,1-3H3,(H,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.48E+3	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))	BDBM50453659 (CHEMBL2113692) Show SMILES CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1 Show InChI InChI=1S/C15H17IN6/c1-21(2)15-19-13(12-14(20-15)22(3)9-18-12)17-8-10-5-4-6-11(16)7-10/h4-7,9H,8H2,1-3H3,(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.89E+3	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)	BDBM50453659 (CHEMBL2113692) Show SMILES CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1 Show InChI InChI=1S/C15H17IN6/c1-21(2)15-19-13(12-14(20-15)22(3)9-18-12)17-8-10-5-4-6-11(16)7-10/h4-7,9H,8H2,1-3H3,(H,17,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+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