BDBM50470457 CHEMBL4292571

SMILES: CNc1ncc(C(=O)OCc2cccc(F)c2)c2nc(nn12)-c1ccco1

InChI Key: InChIKey=NWWKYDWORDCFBN-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50470457   

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 A3 (Homo sapiens (Human))	BDBM50470457 (CHEMBL4292571) Show SMILES CNc1ncc(C(=O)OCc2cccc(F)c2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14FN5O3/c1-20-18-21-9-13(17(25)27-10-11-4-2-5-12(19)8-11)16-22-15(23-24(16)18)14-6-3-7-26-14/h2-9H,10H2,1H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50470457 (CHEMBL4292571) Show SMILES CNc1ncc(C(=O)OCc2cccc(F)c2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14FN5O3/c1-20-18-21-9-13(17(25)27-10-11-4-2-5-12(19)8-11)16-22-15(23-24(16)18)14-6-3-7-26-14/h2-9H,10H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50470457 (CHEMBL4292571) Show SMILES CNc1ncc(C(=O)OCc2cccc(F)c2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14FN5O3/c1-20-18-21-9-13(17(25)27-10-11-4-2-5-12(19)8-11)16-22-15(23-24(16)18)14-6-3-7-26-14/h2-9H,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50470457 (CHEMBL4292571) Show SMILES CNc1ncc(C(=O)OCc2cccc(F)c2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H14FN5O3/c1-20-18-21-9-13(17(25)27-10-11-4-2-5-12(19)8-11)16-22-15(23-24(16)18)14-6-3-7-26-14/h2-9H,10H2,1H3,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cyclase activi...				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair