BDBM50453677 CHEMBL2113704

SMILES: Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1

InChI Key: InChIKey=APXSDGLADFOEDD-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 = 50453677   

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))	BDBM50453677 (CHEMBL2113704) Show SMILES Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1 Show InChI InChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.03E+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))	BDBM50453677 (CHEMBL2113704) Show SMILES Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1 Show InChI InChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.87E+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)	BDBM50453677 (CHEMBL2113704) Show SMILES Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1 Show InChI InChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.85E+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