BDBM50453796 CHEMBL2113552

SMILES: [#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8]

InChI Key: InChIKey=VQUHAUYRTHIEPT-CNRDKHSOSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50453796   

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))	BDBM50453796 (CHEMBL2113552) Show SMILES [#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r| Show InChI InChI=1S/C25H25N7O4/c26-22-19-23(32(14-27-19)24-21(35)20(34)18(13-33)36-24)30-25(29-22)31-28-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18,20-21,24,33-35H,13H2,(H3,26,29,30,31)/b28-12+/t18-,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain				J Med Chem 38: 3581-5 (1995) BindingDB Entry DOI: 10.7270/Q29C6Z2Z
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50453796 (CHEMBL2113552) Show SMILES [#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r| Show InChI InChI=1S/C25H25N7O4/c26-22-19-23(32(14-27-19)24-21(35)20(34)18(13-33)36-24)30-25(29-22)31-28-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18,20-21,24,33-35H,13H2,(H3,26,29,30,31)/b28-12+/t18-,20-,21-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum				J Med Chem 38: 3581-5 (1995) BindingDB Entry DOI: 10.7270/Q29C6Z2Z
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453796 (CHEMBL2113552) Show SMILES [#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r| Show InChI InChI=1S/C25H25N7O4/c26-22-19-23(32(14-27-19)24-21(35)20(34)18(13-33)36-24)30-25(29-22)31-28-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18,20-21,24,33-35H,13H2,(H3,26,29,30,31)/b28-12+/t18-,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.86E+3	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Activitty at Adenosine A1 receptor of rat atria				J Med Chem 38: 3581-5 (1995) BindingDB Entry DOI: 10.7270/Q29C6Z2Z
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50453796 (CHEMBL2113552) Show SMILES [#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r| Show InChI InChI=1S/C25H25N7O4/c26-22-19-23(32(14-27-19)24-21(35)20(34)18(13-33)36-24)30-25(29-22)31-28-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18,20-21,24,33-35H,13H2,(H3,26,29,30,31)/b28-12+/t18-,20-,21-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	704	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta				J Med Chem 38: 3581-5 (1995) BindingDB Entry DOI: 10.7270/Q29C6Z2Z
					More data for this Ligand-Target Pair