null

SMILES: CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-]

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50581955   

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 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human Adenosine A1 receptor expressed in Flp-In-CHO cell membrane by microbeta scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A2B receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair