BDBM50048053 2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one::CHEMBL55454

SMILES: Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1

InChI Key: InChIKey=SBRMCLIMRSOKFU-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50048053   

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
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50048053 (2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5...) Show SMILES Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C14H17F3N4O/c15-14(16,17)9-3-1-2-7(5-9)4-8-6-19-11-10(8)20-13(18)21-12(11)22/h6-7,9,19H,1-5H2,(H3,18,20,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as subst...				J Med Chem 42: 2422-31 (1999) Article DOI: 10.1021/jm990037y BindingDB Entry DOI: 10.7270/Q2CR5SKN
					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50048053 (2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5...) Show SMILES Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C14H17F3N4O/c15-14(16,17)9-3-1-2-7(5-9)4-8-6-19-11-10(8)20-13(18)21-12(11)22/h6-7,9,19H,1-5H2,(H3,18,20,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.				J Med Chem 42: 2422-31 (1999) Article DOI: 10.1021/jm990037y BindingDB Entry DOI: 10.7270/Q2CR5SKN
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50048053 (2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5...) Show SMILES Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C14H17F3N4O/c15-14(16,17)9-3-1-2-7(5-9)4-8-6-19-11-10(8)20-13(18)21-12(11)22/h6-7,9,19H,1-5H2,(H3,18,20,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate				J Med Chem 36: 1847-54 (1993) BindingDB Entry DOI: 10.7270/Q2WQ02WD
					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50048053 (2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5...) Show SMILES Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C14H17F3N4O/c15-14(16,17)9-3-1-2-7(5-9)4-8-6-19-11-10(8)20-13(18)21-12(11)22/h6-7,9,19H,1-5H2,(H3,18,20,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.				J Med Chem 42: 2422-31 (1999) Article DOI: 10.1021/jm990037y BindingDB Entry DOI: 10.7270/Q2CR5SKN
					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50048053 (2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5...) Show SMILES Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C14H17F3N4O/c15-14(16,17)9-3-1-2-7(5-9)4-8-6-19-11-10(8)20-13(18)21-12(11)22/h6-7,9,19H,1-5H2,(H3,18,20,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase from calf spleen in 50 mM phosphate				J Med Chem 36: 1847-54 (1993) BindingDB Entry DOI: 10.7270/Q2WQ02WD
					More data for this Ligand-Target Pair