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BDBM14454 1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine::1-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene}piperidin-1-yl)-2-(pyridin-4-yl)ethan-1-one::CHEMBL289404::SCH 44342

SMILES: Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1

InChI Key: InChIKey=KIFXOXSGYMUANJ-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 = 14454   
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)


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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PubMed
n/an/a 250n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a>1.14E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Geranylgeranyl transferase type I


J Med Chem 40: 4290-301 (1998)


Article DOI: 10.1021/jm970464g
BindingDB Entry DOI: 10.7270/Q2NC60B2
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a 250n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Farnesyltransferase


J Med Chem 40: 4290-301 (1998)


Article DOI: 10.1021/jm970464g
BindingDB Entry DOI: 10.7270/Q2NC60B2
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a 250n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human farnesyltransferase


J Med Chem 40: 4103-12 (1998)


Article DOI: 10.1021/jm970291v
BindingDB Entry DOI: 10.7270/Q2T152R0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a 250n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro FPT potency by measuring the ability to inhibit the transfer of [3H]-farnesyl from farnesyl pyrophosphate to H-Ras-CLVS.


Bioorg Med Chem Lett 8: 2521-6 (1999)


BindingDB Entry DOI: 10.7270/Q24M93PP
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against farnesyltransferase was determined


J Med Chem 47: 1869-78 (2004)


Article DOI: 10.1021/jm0305467
BindingDB Entry DOI: 10.7270/Q2RX9CVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a 250n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase


J Med Chem 42: 2125-35 (1999)


Article DOI: 10.1021/jm990030g
BindingDB Entry DOI: 10.7270/Q2ZS2VP9
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-farnesyl pyrophosphate binding to human farnesyltransferase


Bioorg Med Chem Lett 13: 1523-6 (2003)


BindingDB Entry DOI: 10.7270/Q2QZ29BR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a 250n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against rat brain Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a 1.14E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against Geranylgeranyl transferase type I


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM14454
PNG
(1-(4-pyridylacetyl)-4-(8-chloro-5,6-dihydro-11H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
Show InChI InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Ras processing in COS cells


Bioorg Med Chem Lett 8: 2521-6 (1999)


BindingDB Entry DOI: 10.7270/Q24M93PP
More data for this
Ligand-Target Pair