BDBM50237069 3-(2-fluorophenyl)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)propanamide::CHEMBL255647

SMILES: Cc1ccc(o1)-c1nc(NC(=O)CCc2ccccc2F)cc(n1)-c1nccs1

InChI Key: InChIKey=OECFCZUHCVYOCI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50237069   

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))	BDBM50237069 (3-(2-fluorophenyl)-N-(2-(5-methylfuran-2-yl)-6-(th...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)CCc2ccccc2F)cc(n1)-c1nccs1 Show InChI InChI=1S/C21H17FN4O2S/c1-13-6-8-17(28-13)20-24-16(21-23-10-11-29-21)12-18(26-20)25-19(27)9-7-14-4-2-3-5-15(14)22/h2-6,8,10-12H,7,9H2,1H3,(H,24,25,26,27)	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	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Binding affinity at adenosine A2A receptor				Bioorg Med Chem Lett 18: 1778-83 (2008) Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50237069 (3-(2-fluorophenyl)-N-(2-(5-methylfuran-2-yl)-6-(th...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)CCc2ccccc2F)cc(n1)-c1nccs1 Show InChI InChI=1S/C21H17FN4O2S/c1-13-6-8-17(28-13)20-24-16(21-23-10-11-29-21)12-18(26-20)25-19(27)9-7-14-4-2-3-5-15(14)22/h2-6,8,10-12H,7,9H2,1H3,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Binding affinity at adenosine A1 receptor				Bioorg Med Chem Lett 18: 1778-83 (2008) Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62
					More data for this Ligand-Target Pair