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SMILES: Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1cccc(Cl)c1

InChI Key: InChIKey=IGCORMDACWRGMB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50135388   
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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50135388
PNG
(6-[(3'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C33H23ClF3N5O3/c1-41-19-40-17-29(41)31(22-6-7-23(15-38)27(13-22)21-4-3-5-25(34)12-21)44-18-30-28(14-24(16-39)32(43)42(30)2)20-8-10-26(11-9-20)45-33(35,36)37/h3-14,17,19,31H,18H2,1-2H3
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PubMed
n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50135388
PNG
(6-[(3'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C33H23ClF3N5O3/c1-41-19-40-17-29(41)31(22-6-7-23(15-38)27(13-22)21-4-3-5-25(34)12-21)44-18-30-28(14-24(16-39)32(43)42(30)2)20-8-10-26(11-9-20)45-33(35,36)37/h3-14,17,19,31H,18H2,1-2H3
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50135388
PNG
(6-[(3'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C33H23ClF3N5O3/c1-41-19-40-17-29(41)31(22-6-7-23(15-38)27(13-22)21-4-3-5-25(34)12-21)44-18-30-28(14-24(16-39)32(43)42(30)2)20-8-10-26(11-9-20)45-33(35,36)37/h3-14,17,19,31H,18H2,1-2H3
PDB
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UniProtKB/SwissProt

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DrugBank
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair