BDBM50258621 CHEMBL469119::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl-4-fluorophenylcarbamate

SMILES: Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1

InChI Key: InChIKey=XOGGWMKIGUYGPC-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 = 50258621   

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))	BDBM50258621 (CHEMBL469119 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-19(18)20(28)27(2)22(26)30)14-5-3-13(4-6-14)12-31-21(29)24-16-9-7-15(23)8-10-16/h3-11,25H,12H2,1-2H3,(H,24,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter				Bioorg Med Chem 17: 3618-29 (2009) Article DOI: 10.1016/j.bmc.2009.03.062 BindingDB Entry DOI: 10.7270/Q2Q81D07
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50258621 (CHEMBL469119 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-19(18)20(28)27(2)22(26)30)14-5-3-13(4-6-14)12-31-21(29)24-16-9-7-15(23)8-10-16/h3-11,25H,12H2,1-2H3,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by beta scintillation counter				Bioorg Med Chem 17: 3618-29 (2009) Article DOI: 10.1016/j.bmc.2009.03.062 BindingDB Entry DOI: 10.7270/Q2Q81D07
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50258621 (CHEMBL469119 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-19(18)20(28)27(2)22(26)30)14-5-3-13(4-6-14)12-31-21(29)24-16-9-7-15(23)8-10-16/h3-11,25H,12H2,1-2H3,(H,24,29)	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	72.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HeLa cells by beta scintillation counter				Bioorg Med Chem 17: 3618-29 (2009) Article DOI: 10.1016/j.bmc.2009.03.062 BindingDB Entry DOI: 10.7270/Q2Q81D07
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50258621 (CHEMBL469119 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-19(18)20(28)27(2)22(26)30)14-5-3-13(4-6-14)12-31-21(29)24-16-9-7-15(23)8-10-16/h3-11,25H,12H2,1-2H3,(H,24,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	871	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HeLa cells by beta scintillation counter				Bioorg Med Chem 17: 3618-29 (2009) Article DOI: 10.1016/j.bmc.2009.03.062 BindingDB Entry DOI: 10.7270/Q2Q81D07
					More data for this Ligand-Target Pair