BDBM50256667 (2S,3R)-3-isopropoxy-2-(3-(3-mesitylureido)-2-naphthamido)butanoic acid::CHEMBL473850

SMILES: CC(C)O[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O

InChI Key: InChIKey=PKRTXXSIBBFUMG-CLOONOSVSA-N

Data: 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 3 hits for monomerid = 50256667   

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
Glycogen Phosphorylase (PYGL) (Homo sapiens (Human))	BDBM50256667 ((2S,3R)-3-isopropoxy-2-(3-(3-mesitylureido)-2-naph...) Show SMILES CC(C)O[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r| Show InChI InChI=1S/C28H33N3O5/c1-15(2)36-19(6)25(27(33)34)30-26(32)22-13-20-9-7-8-10-21(20)14-23(22)29-28(35)31-24-17(4)11-16(3)12-18(24)5/h7-15,19,25H,1-6H3,(H,30,32)(H,33,34)(H2,29,31,35)/t19-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis				Bioorg Med Chem Lett 19: 981-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.084 BindingDB Entry DOI: 10.7270/Q2319VRH
					More data for this Ligand-Target Pair
Glycogen Phosphorylase (PYGL) (Homo sapiens (Human))	BDBM50256667 ((2S,3R)-3-isopropoxy-2-(3-(3-mesitylureido)-2-naph...) Show SMILES CC(C)O[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r| Show InChI InChI=1S/C28H33N3O5/c1-15(2)36-19(6)25(27(33)34)30-26(32)22-13-20-9-7-8-10-21(20)14-23(22)29-28(35)31-24-17(4)11-16(3)12-18(24)5/h7-15,19,25H,1-6H3,(H,30,32)(H,33,34)(H2,29,31,35)/t19-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay				Bioorg Med Chem Lett 19: 981-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.084 BindingDB Entry DOI: 10.7270/Q2319VRH
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50256667 ((2S,3R)-3-isopropoxy-2-(3-(3-mesitylureido)-2-naph...) Show SMILES CC(C)O[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r| Show InChI InChI=1S/C28H33N3O5/c1-15(2)36-19(6)25(27(33)34)30-26(32)22-13-20-9-7-8-10-21(20)14-23(22)29-28(35)31-24-17(4)11-16(3)12-18(24)5/h7-15,19,25H,1-6H3,(H,30,32)(H,33,34)(H2,29,31,35)/t19-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 981-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.084 BindingDB Entry DOI: 10.7270/Q2319VRH
					More data for this Ligand-Target Pair