BDBM50312947 CHEMBL1079801::N-(5-cyano-6-(furan-2-yl)pyridin-2-yl)cyclopropanecarboxamide

SMILES: O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1

InChI Key: InChIKey=RWRIELQWXMXMNH-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 = 50312947   

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 A2a (Homo sapiens (Human))	BDBM50312947 (CHEMBL1079801 | N-(5-cyano-6-(furan-2-yl)pyridin-2...) Show SMILES O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,16,17,18)	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	12	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 A2b (Homo sapiens (Human))	BDBM50312947 (CHEMBL1079801 | N-(5-cyano-6-(furan-2-yl)pyridin-2...) Show SMILES O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,16,17,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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))	BDBM50312947 (CHEMBL1079801 | N-(5-cyano-6-(furan-2-yl)pyridin-2...) Show SMILES O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	289	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 A3 (Homo sapiens (Human))	BDBM50312947 (CHEMBL1079801 | N-(5-cyano-6-(furan-2-yl)pyridin-2...) Show SMILES O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	326	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