BDBM96235 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-coumarilic acid ethyl ester;hydrochloride::4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-2-benzofurancarboxylic acid ethyl ester;hydrochloride::CHEMBL53849::MLS000039218::Non peptidic, 1::SMR000036354::cid_6602742::ethyl 3-methyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-carboxylate;hydrochloride::ethyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride

SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C

InChI Key InChIKey=QVJVMNUTCGTBCH-UHFFFAOYSA-N

Data  25 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 96235   

TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  50nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  140nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  240nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  260nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  280nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  360nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  390nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  420nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  450nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  450nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  450nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  540nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  540nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  600nM IC50:  980nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  690nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  860nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  890nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  1.70E+3nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  2.20E+3nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  2.60E+3nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi:  6.90E+3nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataKi: >8.90E+4nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataIC50:  2.27E+8nMAssay Description:Inhibition of candida N-myristoyltransferaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Homo sapiens (Human))
Nippon Roche Research Center

Curated by ChEMBL
LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataIC50:  98nMAssay Description:Compound was evaluated for its Beta adrenergic receptor blocking actionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase 1/2(Homo sapiens (Human))
Nippon Roche Research Center

Curated by ChEMBL
LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataIC50:  980nMAssay Description:Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycylpeptide N-tetradecanoyltransferase 1/2(Homo sapiens (Human))
Nippon Roche Research Center

Curated by ChEMBL
LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataIC50:  1.94E+5nMAssay Description:In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain H37Rv))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataIC50:  843nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlycylpeptide N-tetradecanoyltransferase(Candida albicans (Yeast))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataIC50:  2.27E+8nMAssay Description:Inhibition of candida N-myristoyltransferaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetGlycylpeptide N-tetradecanoyltransferase 1(Homo sapiens (Human))
Nippon Roche Research Center

LigandPNGBDBM96235(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Affinity DataIC50:  1.94E+5nMAssay Description:Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed