BDBM50130376 2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-benzonitrile::CHEMBL319427

SMILES: CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(C)(O)c2cncn2C)c1

InChI Key: InChIKey=ZCCICPFBBPENMT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50130376   

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
Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50130376 (2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...) Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(C)(O)c2cncn2C)c1 Show InChI InChI=1S/C28H32N4O3/c1-5-28(13-6-7-14-31(3)26(28)33)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,34)25-18-30-19-32(25)4/h8-12,15-16,18-19,34H,5-7,13-14H2,1-4H3	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	1.20	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 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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50130376 (2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]...) Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(C)(O)c2cncn2C)c1 Show InChI InChI=1S/C28H32N4O3/c1-5-28(13-6-7-14-31(3)26(28)33)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,34)25-18-30-19-32(25)4/h8-12,15-16,18-19,34H,5-7,13-14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	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