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null

SMILES: Nc1nc(SCc2ncc[nH]2)c(C#N)c(n1)-c1ccccc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50582415
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))	BDBM50582415 (CHEMBL5093654) Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(n1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes measured after 3 hrs by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01856 BindingDB Entry DOI: 10.7270/Q2PN99H7
TBA					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50582415 (CHEMBL5093654) Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(n1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	69	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 receptor expressed in CHO cell membranes measured after 3 hrs by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01856 BindingDB Entry DOI: 10.7270/Q2PN99H7
TBA					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50582415 (CHEMBL5093654) Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(n1)-c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membranes measured after 3 hrs by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01856 BindingDB Entry DOI: 10.7270/Q2PN99H7
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50582415 (CHEMBL5093654) Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(n1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as intrinsic activity by measuring cell index change withi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01856 BindingDB Entry DOI: 10.7270/Q2PN99H7
TBA					More data for this Ligand-Target Pair