BDBM50215444 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE::7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6-(5H,7H)-dione::7-isobutyl-5-methyl-2-(naphthalen-1-ylmethyl)-3-(pyridin-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL401874

SMILES: CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O

InChI Key: InChIKey=NNZDBCPMOOEFTE-UHFFFAOYSA-N

Data: 3 IC50  2 Kd

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 5 hits for monomerid = 50215444   

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
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori MurI				Bioorg Med Chem Lett 18: 4716-22 (2008) Article DOI: 10.1016/j.bmcl.2008.06.092 BindingDB Entry DOI: 10.7270/Q2N29WSP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori glutamate racemase				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Binding affinity to Helicobacter pylori MurI by isothermal titration calorimetry				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Streptococcus pneumoniae)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of MurI in Streptococcus pneumoniae				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assay				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)