BDBM50097071 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE::4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmethyl]-imidazol-1-ylmethyl}-benzonitrile::CHEMBL279433::L-778123

SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O

InChI Key InChIKey=JNUGFGAVPBYSHF-UHFFFAOYSA-N

Data  14 IC50  1 EC50

PDB links: 3 PDB IDs match this monomer.

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 15 hits for monomerid = 50097071   

TargetProtein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 2.00E+3nMAssay Description:In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIMMore data for this Ligand-Target Pair
TargetProtein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 2nMAssay Description:Inhibition of human recombinant FTase using [3H]farnesyldiphosphateMore data for this Ligand-Target Pair
TargetProtein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferaseMore data for this Ligand-Target Pair
TargetProtein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha(Bos taurus (bovine))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 95nMAssay Description:Displacement of radiolabeled FTI from Farnesyltransferase in v-Ha-ras-transformed Rat1 cells.More data for this Ligand-Target Pair
TargetProtein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha(Bos taurus (bovine))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 2nMAssay Description:Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.More data for this Ligand-Target Pair
TargetProtein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 2nMAssay Description:Inhibition of Farnesyl protein transferase radiolabel [1-3H] incorporationMore data for this Ligand-Target Pair
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 98nMAssay Description:Inhibition of human Geranylgeranyl transferase type I incorporation of [3H]-GGPP into biotinylated peptide corresponding to the C-terminus of human K...More data for this Ligand-Target Pair
TargetProtein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 3.60nMAssay Description:Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.More data for this Ligand-Target Pair
TargetProtein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 2nMAssay Description:Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.More data for this Ligand-Target Pair
TargetDimer of Protein farnesyltransferase subunit beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 2nMAssay Description:Inhibitory concentration against farnesyltransferase was determinedMore data for this Ligand-Target Pair
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataEC50:  6.80E+3nMAssay Description:Inhibition of Geranylgeranyl transferase type IMore data for this Ligand-Target Pair
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 9.80E+4nMAssay Description:In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...More data for this Ligand-Target Pair
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 99nMAssay Description:Inhibition of geranyl-geranylation of the C-terminal CAAX sequence of Rap 1a in PSN-1 cellsMore data for this Ligand-Target Pair
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 98nMAssay Description:Inhibition of human GGTase1 in human Burkitt lymphoma (Daudi) cell supernatant using [3H]geranylgeranylMore data for this Ligand-Target Pair
TargetProtein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50097071(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
Affinity DataIC50: 3nMAssay Description:Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cellsMore data for this Ligand-Target Pair