BDBM50100279 2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-imidazol-1-ylmethyl-benzonitrile::CHEMBL282499

SMILES: CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1

InChI Key: InChIKey=KMNYYAJYASNHCC-UHFFFAOYSA-N

Data: 5 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 = 50100279   

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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50100279 (2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...) Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1 Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of incorporation of [3H]-GGPP into a biotinylated peptide corresponding to C-terminus of human Ki-Ras by human geranylgeranyl-tran...				Bioorg Med Chem Lett 11: 1257-60 (2001) BindingDB Entry DOI: 10.7270/Q2FX78RS
					More data for this Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50100279 (2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...) Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1 Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of incorporation of [3H]-GGPP into a biotinylated peptide corresponding to C-terminus of human Ki-Ras by human geranylgeranyl-tran...				Bioorg Med Chem Lett 11: 1257-60 (2001) BindingDB Entry DOI: 10.7270/Q2FX78RS
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50100279 (2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...) Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1 Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...				J Med Chem 46: 2973-84 (2003) Article DOI: 10.1021/jm020587n BindingDB Entry DOI: 10.7270/Q26Q1Z0P
					More data for this Ligand-Target Pair
Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50100279 (2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...) Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1 Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.				J Med Chem 46: 2973-84 (2003) Article DOI: 10.1021/jm020587n BindingDB Entry DOI: 10.7270/Q26Q1Z0P
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50100279 (2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...) Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1 Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of incorporation of [3H]-FPP into recombinant Ras-CVIM by human farnesyltransferase.				Bioorg Med Chem Lett 11: 1257-60 (2001) BindingDB Entry DOI: 10.7270/Q2FX78RS
					More data for this Ligand-Target Pair				3D Structure (docked)