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SMILES: COc1ccc(cn1)-c1nc(N)cc(Cl)c1-c1ccnc(F)c1

InChI Key: InChIKey=XGQTVURBKMEEAQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 375234   

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 A2b (Homo sapiens (Human))	BDBM375234 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(6-methoxypyri...) Show SMILES COc1ccc(cn1)-c1nc(N)cc(Cl)c1-c1ccnc(F)c1 Show InChI InChI=1S/C16H12ClFN4O/c1-23-14-3-2-10(8-21-14)16-15(11(17)7-13(19)22-16)9-4-5-20-12(18)6-9/h2-8H,1H3,(H2,19,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM375234 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(6-methoxypyri...) Show SMILES COc1ccc(cn1)-c1nc(N)cc(Cl)c1-c1ccnc(F)c1 Show InChI InChI=1S/C16H12ClFN4O/c1-23-14-3-2-10(8-21-14)16-15(11(17)7-13(19)22-16)9-4-5-20-12(18)6-9/h2-8H,1H3,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair