BindingDB PrimarySearch

null

SMILES: COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CCC(C)N(C1)c1cnn(CC(C)(C)O)c1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 551572
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551572 (1-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro-7-me...) Show SMILES 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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test compound) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM551572 (1-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro-7-me...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The reported affinity of the compounds of the invention for the human A2b adenosine receptor was determined experimentally using a radioligand filtra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551572 (1-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro-7-me...) Show SMILES 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	51.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test compound) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM551572 (1-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro-7-me...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The reported affinity of the compounds of the invention for the human A2b adenosine receptor was determined experimentally using a radioligand filtra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551572 (1-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro-7-me...) Show SMILES 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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test compound) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM551572 (1-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro-7-me...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The reported affinity of the compounds of the invention for the human A2b adenosine receptor was determined experimentally using a radioligand filtra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551572 (1-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro-7-me...) Show SMILES 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	55.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test compound) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM551572 (1-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro-7-me...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The reported affinity of the compounds of the invention for the human A2b adenosine receptor was determined experimentally using a radioligand filtra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
TBA					More data for this Ligand-Target Pair