BDBM50312959 CHEMBL1076587::N-(2-(3-fluorophenyl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide

SMILES: Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1

InChI Key: InChIKey=XTKWYENKGIRGAI-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 = 50312959   

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))	BDBM50312959 (CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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))	BDBM50312959 (CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50312959 (CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)	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	57	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))	BDBM50312959 (CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	715	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