BDBM50109882 3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benzofuran-4-yloxy)-N-(pyridin-3-ylmethyl)propan-1-amine::CHEMBL347048::{3-[3-Methyl-2-(2,3,4-trifluoro-phenoxymethyl)-benzofuran-4-yloxy]-propyl}-pyridin-3-ylmethyl-amine

SMILES: Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12

InChI Key: InChIKey=FKIAZUIISXQFHC-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 2 PDB IDs match 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 = 50109882   

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
Myristoyl-CoA:protein N-myristoyltransferase (Nmt) (Candida albicans (Yeast))	BDBM50109882 (3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benz...) Show SMILES Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12 Show InChI InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of Candida albicans N-myristoyltransferse				Eur J Med Chem 42: 477-86 (2007) Article DOI: 10.1016/j.ejmech.2006.11.001 BindingDB Entry DOI: 10.7270/Q2RV0ND9
					More data for this Ligand-Target Pair				3D Structure (docked)
Myristoyl-CoA:protein N-myristoyltransferase (Nmt) (Candida albicans (Yeast))	BDBM50109882 (3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benz...) Show SMILES Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12 Show InChI InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of Candida albicans N-myristoyltransferse				Eur J Med Chem 42: 477-86 (2007) Article DOI: 10.1016/j.ejmech.2006.11.001 BindingDB Entry DOI: 10.7270/Q2RV0ND9
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50109882 (3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benz...) Show SMILES Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12 Show InChI InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-Myristoyltransferase (CaNmt) assessed as inhibitory concentration using substrate peptide and myristot...				Bioorg Med Chem Lett 12: 607-10 (2002) BindingDB Entry DOI: 10.7270/Q2PC34K1
					More data for this Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt) (Candida albicans (Yeast))	BDBM50109882 (3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benz...) Show SMILES Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12 Show InChI InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of Candida albicans ATCC 90028 NMT using GLTISKLFRR-NH2 as substrate assessed as reduction in [3H]-myristoylated peptide reaction product ...				J Med Chem 61: 5484-5511 (2018) Article DOI: 10.1021/acs.jmedchem.7b01413 BindingDB Entry DOI: 10.7270/Q26112X4
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50109882 (3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benz...) Show SMILES Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12 Show InChI InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against human N-Myristoyltransferase (HsNmt) assessed as inhibitory concentration using substrate peptide and myristotyl-CoA at 0...				Bioorg Med Chem Lett 12: 607-10 (2002) BindingDB Entry DOI: 10.7270/Q2PC34K1
					More data for this Ligand-Target Pair
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50109882 (3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benz...) Show SMILES Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12 Show InChI InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans Nmt (CaNmt)				Bioorg Med Chem Lett 13: 87-91 (2003) BindingDB Entry DOI: 10.7270/Q25D8V2K
					More data for this Ligand-Target Pair
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50109882 (3-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benz...) Show SMILES Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12 Show InChI InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concentration (nM); 3.7-9.4 nM				Bioorg Med Chem Lett 12: 607-10 (2002) BindingDB Entry DOI: 10.7270/Q2PC34K1
					More data for this Ligand-Target Pair