BDBM50294509 2-amino-6-(furan-2-yl)-N-(4-methylbenzyl)pyrimidine-4-carboxamide::CHEMBL557696

SMILES: Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1

InChI Key: InChIKey=QTEJHXLDDDJLAG-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 = 50294509   

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))	BDBM50294509 (2-amino-6-(furan-2-yl)-N-(4-methylbenzyl)pyrimidin...) Show SMILES Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-11-4-6-12(7-5-11)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294509 (2-amino-6-(furan-2-yl)-N-(4-methylbenzyl)pyrimidin...) Show SMILES Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-11-4-6-12(7-5-11)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A1 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50294509 (2-amino-6-(furan-2-yl)-N-(4-methylbenzyl)pyrimidin...) Show SMILES Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-11-4-6-12(7-5-11)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Binding affinity to adenosine A2B receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294509 (2-amino-6-(furan-2-yl)-N-(4-methylbenzyl)pyrimidin...) Show SMILES Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-11-4-6-12(7-5-11)10-19-16(22)14-9-13(20-17(18)21-14)15-3-2-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Binding affinity to adenosine A3 receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair