BDBM21233 2-mercaptopyrimidine analogue, 5l::N-{6-[(3-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide

SMILES: CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1

InChI Key: InChIKey=AESHNCRRLLSPTG-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 3 hits for monomerid = 21233   

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 A3 (Homo sapiens (Human))	BDBM21233 (2-mercaptopyrimidine analogue, 5l | N-{6-[(3-chlor...) Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1 Show InChI InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21233 (2-mercaptopyrimidine analogue, 5l | N-{6-[(3-chlor...) Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1 Show InChI InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	582	-8.50	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21233 (2-mercaptopyrimidine analogue, 5l | N-{6-[(3-chlor...) Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1 Show InChI InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair