BDBM50312960 CHEMBL1082208::N-(2-(3-fluorophenyl)-3,4'-bipyridin-6-yl)acetamide

SMILES: CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1

InChI Key: InChIKey=NTDOSIOCCLEQMK-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 = 50312960   

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))	BDBM50312960 (CHEMBL1082208 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1 Show InChI InChI=1S/C18H14FN3O/c1-12(23)21-17-6-5-16(13-7-9-20-10-8-13)18(22-17)14-3-2-4-15(19)11-14/h2-11H,1H3,(H,21,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50312960 (CHEMBL1082208 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1 Show InChI InChI=1S/C18H14FN3O/c1-12(23)21-17-6-5-16(13-7-9-20-10-8-13)18(22-17)14-3-2-4-15(19)11-14/h2-11H,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50312960 (CHEMBL1082208 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1 Show InChI InChI=1S/C18H14FN3O/c1-12(23)21-17-6-5-16(13-7-9-20-10-8-13)18(22-17)14-3-2-4-15(19)11-14/h2-11H,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50312960 (CHEMBL1082208 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1 Show InChI InChI=1S/C18H14FN3O/c1-12(23)21-17-6-5-16(13-7-9-20-10-8-13)18(22-17)14-3-2-4-15(19)11-14/h2-11H,1H3,(H,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	471	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair