BDBM50115917 4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-piperazine-1-carboxylic acid benzo[1,3]dioxol-4-ylmethyl ester::CHEMBL305138

SMILES: O=C(OCc1cccc2OCOc12)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1

InChI Key: InChIKey=VKLQBYODSYOXOK-UHFFFAOYSA-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 = 50115917   

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))	BDBM50115917 (4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...) Show SMILES O=C(OCc1cccc2OCOc12)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C25H25N5O4/c26-12-19-4-6-20(7-5-19)14-30-17-27-13-22(30)15-28-8-10-29(11-9-28)25(31)32-16-21-2-1-3-23-24(21)34-18-33-23/h1-7,13,17H,8-11,14-16,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitor of Farnesyl protein transferase(FTPase) required to reduce radiolabel [1-3H] incorporation by 50%				Bioorg Med Chem Lett 12: 2027-30 (2002) BindingDB Entry DOI: 10.7270/Q2TQ60VS
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50115917 (4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...) Show SMILES O=C(OCc1cccc2OCOc12)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C25H25N5O4/c26-12-19-4-6-20(7-5-19)14-30-17-27-13-22(30)15-28-8-10-29(11-9-28)25(31)32-16-21-2-1-3-23-24(21)34-18-33-23/h1-7,13,17H,8-11,14-16,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP				Bioorg Med Chem Lett 12: 2027-30 (2002) BindingDB Entry DOI: 10.7270/Q2TQ60VS
					More data for this Ligand-Target Pair
Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50115917 (4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...) Show SMILES O=C(OCc1cccc2OCOc12)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C25H25N5O4/c26-12-19-4-6-20(7-5-19)14-30-17-27-13-22(30)15-28-8-10-29(11-9-28)25(31)32-16-21-2-1-3-23-24(21)34-18-33-23/h1-7,13,17H,8-11,14-16,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The concentration required to displace 50% of a highly potent radiolabeled FPTase inhibitor				Bioorg Med Chem Lett 12: 2027-30 (2002) BindingDB Entry DOI: 10.7270/Q2TQ60VS
					More data for this Ligand-Target Pair