null

SMILES: Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)nc(CO)c2)c2nn(C[C@H]3CCCO3)c(=O)n12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 616145   

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))	BDBM616145 (US20230271964, Example 2-34) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)nc(CO)c2)c2nn(C[C@H]3CCCO3)c(=O)n12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2251P9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM616145 (US20230271964, Example 2-34) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)nc(CO)c2)c2nn(C[C@H]3CCCO3)c(=O)n12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2251P9N
					More data for this Ligand-Target Pair