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BDBM50177232 4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperazine-1,2-dicarboxylic acid 1-cyclohexylamide 2-[(3-imidazol-1-yl-propyl)-amide]::4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperazine-1,2-dicarboxylicacid 1-cyclohexylamide 2-[(3-imidazol-1-yl-propyl)-amide]::CHEMBL381360

SMILES: Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1

InChI Key: InChIKey=HDGVZUWMGHDPLU-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50177232   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 1.20n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Ha-Ras processing in COS7 cells


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 0.560n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Ha-Ras processing in COS7 cells


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Anchorage-independent growth of transformed NIH3T3 cells in soft agar


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 4.5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 2n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 5.20n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Anchorage-independent growth of transformed NIH3T3 cells in soft agar


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Geranylgeranyltransferase 1


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 1.5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 0.100n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Farnesyltransferase quantified by modified SPA assay with improved sensitivity


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 4.20n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Ha-Ras processing in COS7 cells


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Geranylgeranyltransferase 1


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair