BDBM30972 8-[[4-(2-furoyl)piperazino]methyl]-7-isoamyl-1,3-dimethyl-xanthine::8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione::8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione::8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione::MLS000101916::SMR000016478::cid_4894361

SMILES: CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4

InChI Key: InChIKey=AGUUKKXWABRVBZ-UHFFFAOYSA-N

Data: 2 KI  4 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 30972   

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
5-hydroxytryptamine receptor 1A (Human)	BDBM30972 (8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	9.90E+4	n/a	n/a	7.4	23
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Human)	BDBM30972 (8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Human)	BDBM30972 (8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Human)	BDBM30972 (8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Human)	BDBM30972 (8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Human)	BDBM30972 (8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3...) Show SMILES Show InChI	GoogleScholar	UniChem		720	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
Aldehyde dehydrogenase 1A1 (Human)	BDBM30972 (8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3...) Show SMILES Show InChI	GoogleScholar	UniChem		800	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