null

SMILES: C[C@](C(=O)NC1CCC(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 577292   

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))	BDBM577292 (US11472811, Example 76B) Show SMILES C[C@](C(=O)NC1CCC(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r,wU:1.19,wD:1.0,(.13,-.3,;-1.21,-1.07,;-2.47,-1.95,;-2.35,-3.48,;-3.86,-1.29,;-5.35,-1.69,;-6.83,-1.3,;-8.32,-1.69,;-9.09,-.35,;-9.09,1.19,;-7.61,-.74,;-6.12,-.35,;-1.31,.46,;-.03,1.32,;-.13,2.86,;-1.51,3.54,;-2.79,2.68,;-2.69,1.14,;.17,-1.77,;.41,-3.29,;1.93,-3.54,;2.63,-2.16,;4.12,-1.76,;5.41,-2.6,;6.6,-1.63,;6.05,-.2,;4.51,-.28,;3.43,.81,;3.82,2.3,;1.94,.41,;1.54,-1.07,;8.09,-2.03,;8.64,-3.47,;10.18,-3.39,;10.58,-1.9,;9.29,-1.06,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity of test compounds to four human adenosine receptors, A1, A2A, A2B and A3 was determined in radioligand competitive binding assay (co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ149W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM577292 (US11472811, Example 76B) Show SMILES C[C@](C(=O)NC1CCC(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r,wU:1.19,wD:1.0,(.13,-.3,;-1.21,-1.07,;-2.47,-1.95,;-2.35,-3.48,;-3.86,-1.29,;-5.35,-1.69,;-6.83,-1.3,;-8.32,-1.69,;-9.09,-.35,;-9.09,1.19,;-7.61,-.74,;-6.12,-.35,;-1.31,.46,;-.03,1.32,;-.13,2.86,;-1.51,3.54,;-2.79,2.68,;-2.69,1.14,;.17,-1.77,;.41,-3.29,;1.93,-3.54,;2.63,-2.16,;4.12,-1.76,;5.41,-2.6,;6.6,-1.63,;6.05,-.2,;4.51,-.28,;3.43,.81,;3.82,2.3,;1.94,.41,;1.54,-1.07,;8.09,-2.03,;8.64,-3.47,;10.18,-3.39,;10.58,-1.9,;9.29,-1.06,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity of test compounds to four human adenosine receptors, A1, A2A, A2B and A3 was determined in radioligand competitive binding assay (co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ149W
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM577292 (US11472811, Example 76B) Show SMILES C[C@](C(=O)NC1CCC(O)CC1)(c1ccccc1)n1ncc2c3nc(nn3c(N)nc12)-c1ccco1 |r,wU:1.19,wD:1.0,(.13,-.3,;-1.21,-1.07,;-2.47,-1.95,;-2.35,-3.48,;-3.86,-1.29,;-5.35,-1.69,;-6.83,-1.3,;-8.32,-1.69,;-9.09,-.35,;-9.09,1.19,;-7.61,-.74,;-6.12,-.35,;-1.31,.46,;-.03,1.32,;-.13,2.86,;-1.51,3.54,;-2.79,2.68,;-2.69,1.14,;.17,-1.77,;.41,-3.29,;1.93,-3.54,;2.63,-2.16,;4.12,-1.76,;5.41,-2.6,;6.6,-1.63,;6.05,-.2,;4.51,-.28,;3.43,.81,;3.82,2.3,;1.94,.41,;1.54,-1.07,;8.09,-2.03,;8.64,-3.47,;10.18,-3.39,;10.58,-1.9,;9.29,-1.06,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK293-A2AR-luc2p/CRE/Hygro cells were seeded at a density of 5,000 cells/well in DMEM with 1% FBS and 1 U/mL adenosine deaminase (ADA) (Sigma). Afte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ149W
					More data for this Ligand-Target Pair