BDBM415449 3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoimidazolidin-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione (Enantiomer 1)::US10428083, Example 66

SMILES: CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O

InChI Key: InChIKey=CDWIRFUAQXSUGR-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 = 415449   

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))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair