BDBM198127 4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)

SMILES: CCCOc1cc(N)nc(SCc2ccccc2)n1

InChI Key: InChIKey=XZZJWUQBDNSKFM-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 = 198127   

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 A1 (Homo sapiens (Human))	BDBM198127 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)) Show SMILES CCCOc1cc(N)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.24E+3	-8.05	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM198127 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)) Show SMILES CCCOc1cc(N)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM198127 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)) Show SMILES CCCOc1cc(N)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, ...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM198127 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (4)) Show SMILES CCCOc1cc(N)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair