BDBM50140943 4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetylamino}-benzoic acid::CHEMBL431703

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(O)=O)nn1C

InChI Key: InChIKey=JTHIYDNBNYRAEL-UHFFFAOYSA-N

Data: 5 KI  1 IC50

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 6 hits for monomerid = 50140943   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2b (Human)	BDBM50140943 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Human)	BDBM50140943 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES Show InChI	GoogleScholar	UniChem		36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Human)	BDBM50140943 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES Show InChI	GoogleScholar	UniChem		36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM50140943 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM50140943 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Human)	BDBM50140943 (4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair