BDBM50360201 CHEMBL1927427

SMILES: CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1

InChI Key: InChIKey=UCZLQVGNTQBEQA-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50360201   

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 A2a (Homo sapiens (Human))	BDBM50360201 (CHEMBL1927427) Show SMILES CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1 |(24.73,-16.21,;24.74,-14.67,;23.41,-13.89,;23.4,-15.43,;26.07,-13.91,;26.09,-12.37,;24.76,-11.59,;27.42,-11.61,;28.75,-12.39,;30.09,-11.63,;30.1,-10.09,;31.44,-9.33,;32.76,-10.11,;34.09,-9.34,;34.1,-7.8,;35.44,-7.04,;35.44,-5.49,;36.77,-4.72,;36.76,-3.18,;38.1,-5.48,;39.58,-5,;40.49,-6.26,;39.58,-7.51,;38.11,-7.04,;36.77,-7.81,;42.03,-6.26,;42.93,-5.01,;44.4,-5.49,;44.4,-7.03,;42.93,-7.5,;32.77,-11.64,;31.42,-12.41,)| Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)32-20(30)24-12-14-8-6-13(7-9-14)11-23-18-26-17(22)29-19(27-18)25-16(28-29)15-5-4-10-31-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,30)(H3,22,23,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50360201 (CHEMBL1927427) Show SMILES CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1 |(24.73,-16.21,;24.74,-14.67,;23.41,-13.89,;23.4,-15.43,;26.07,-13.91,;26.09,-12.37,;24.76,-11.59,;27.42,-11.61,;28.75,-12.39,;30.09,-11.63,;30.1,-10.09,;31.44,-9.33,;32.76,-10.11,;34.09,-9.34,;34.1,-7.8,;35.44,-7.04,;35.44,-5.49,;36.77,-4.72,;36.76,-3.18,;38.1,-5.48,;39.58,-5,;40.49,-6.26,;39.58,-7.51,;38.11,-7.04,;36.77,-7.81,;42.03,-6.26,;42.93,-5.01,;44.4,-5.49,;44.4,-7.03,;42.93,-7.5,;32.77,-11.64,;31.42,-12.41,)| Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)32-20(30)24-12-14-8-6-13(7-9-14)11-23-18-26-17(22)29-19(27-18)25-16(28-29)15-5-4-10-31-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,30)(H3,22,23,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50360201 (CHEMBL1927427) Show SMILES CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1 |(24.73,-16.21,;24.74,-14.67,;23.41,-13.89,;23.4,-15.43,;26.07,-13.91,;26.09,-12.37,;24.76,-11.59,;27.42,-11.61,;28.75,-12.39,;30.09,-11.63,;30.1,-10.09,;31.44,-9.33,;32.76,-10.11,;34.09,-9.34,;34.1,-7.8,;35.44,-7.04,;35.44,-5.49,;36.77,-4.72,;36.76,-3.18,;38.1,-5.48,;39.58,-5,;40.49,-6.26,;39.58,-7.51,;38.11,-7.04,;36.77,-7.81,;42.03,-6.26,;42.93,-5.01,;44.4,-5.49,;44.4,-7.03,;42.93,-7.5,;32.77,-11.64,;31.42,-12.41,)| Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)32-20(30)24-12-14-8-6-13(7-9-14)11-23-18-26-17(22)29-19(27-18)25-16(28-29)15-5-4-10-31-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,30)(H3,22,23,25,26,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair