Found 16 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50081217
(4-{5-[(S)-2-Butyl-4-(2,3-dimethyl-phenyl)-5-oxo-pi...)Show SMILES CCCC[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(C)c1C Show InChI InChI=1S/C28H33N5O/c1-4-5-8-25-18-33(27-9-6-7-21(2)22(27)3)28(34)19-31(25)17-26-15-30-20-32(26)16-24-12-10-23(14-29)11-13-24/h6-7,9-13,15,20,25H,4-5,8,16-19H2,1-3H3/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097070
(4-{5-[(S)-2-Butyl-4-(2,3-dimethyl-phenyl)-6-oxo-pi...)Show SMILES CCCC[C@H]1CN(CC(=O)N1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(C)c1C Show InChI InChI=1S/C28H33N5O/c1-4-5-8-25-17-31(27-9-6-7-21(2)22(27)3)19-28(34)33(25)18-26-15-30-20-32(26)16-24-12-10-23(14-29)11-13-24/h6-7,9-13,15,20,25H,4-5,8,16-19H2,1-3H3/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097071
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097069
(4-{5-[(S)-6-Butyl-4-(2,3-dimethyl-phenyl)-2,3-diox...)Show SMILES CCCC[C@H]1CN(C(=O)C(=O)N1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(C)c1C Show InChI InChI=1S/C28H31N5O2/c1-4-5-8-24-17-33(26-9-6-7-20(2)21(26)3)28(35)27(34)32(24)18-25-15-30-19-31(25)16-23-12-10-22(14-29)11-13-23/h6-7,9-13,15,19,24H,4-5,8,16-18H2,1-3H3/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097075
(4-((5-((3-oxo-4-phenylpiperazin-1-yl)methyl)-1H-im...)Show InChI InChI=1S/C22H21N5O/c23-12-18-6-8-19(9-7-18)14-26-17-24-13-21(26)15-25-10-11-27(22(28)16-25)20-4-2-1-3-5-20/h1-9,13,17H,10-11,14-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097075
(4-((5-((3-oxo-4-phenylpiperazin-1-yl)methyl)-1H-im...)Show InChI InChI=1S/C22H21N5O/c23-12-18-6-8-19(9-7-18)14-26-17-24-13-21(26)15-25-10-11-27(22(28)16-25)20-4-2-1-3-5-20/h1-9,13,17H,10-11,14-16H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097074
(4-{5-[4-(2,3-Dimethyl-phenyl)-3-oxo-piperazin-1-yl...)Show SMILES Cc1cccc(N2CCN(Cc3cncn3Cc3ccc(cc3)C#N)CC2=O)c1C Show InChI InChI=1S/C24H25N5O/c1-18-4-3-5-23(19(18)2)29-11-10-27(16-24(29)30)15-22-13-26-17-28(22)14-21-8-6-20(12-25)7-9-21/h3-9,13,17H,10-11,14-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097073
(4-{5-[4-(3-Chloro-phenyl)-2,3-dioxo-piperazin-1-yl...)Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)C(=O)C1=O Show InChI InChI=1S/C22H18ClN5O2/c23-18-2-1-3-19(10-18)28-9-8-26(21(29)22(28)30)14-20-12-25-15-27(20)13-17-6-4-16(11-24)5-7-17/h1-7,10,12,15H,8-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097076
(4-[5-(2,3-Dioxo-4-phenyl-piperazin-1-ylmethyl)-imi...)Show SMILES O=C1N(Cc2cncn2Cc2ccc(cc2)C#N)CCN(C1=O)c1ccccc1 Show InChI InChI=1S/C22H19N5O2/c23-12-17-6-8-18(9-7-17)14-26-16-24-13-20(26)15-25-10-11-27(22(29)21(25)28)19-4-2-1-3-5-19/h1-9,13,16H,10-11,14-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097076
(4-[5-(2,3-Dioxo-4-phenyl-piperazin-1-ylmethyl)-imi...)Show SMILES O=C1N(Cc2cncn2Cc2ccc(cc2)C#N)CCN(C1=O)c1ccccc1 Show InChI InChI=1S/C22H19N5O2/c23-12-17-6-8-18(9-7-17)14-26-16-24-13-20(26)15-25-10-11-27(22(29)21(25)28)19-4-2-1-3-5-19/h1-9,13,16H,10-11,14-15H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097080
(4-{5-[4-(2,3-Dimethyl-phenyl)-2,3-dioxo-piperazin-...)Show SMILES Cc1cccc(N2CCN(Cc3cncn3Cc3ccc(cc3)C#N)C(=O)C2=O)c1C Show InChI InChI=1S/C24H23N5O2/c1-17-4-3-5-22(18(17)2)29-11-10-27(23(30)24(29)31)15-21-13-26-16-28(21)14-20-8-6-19(12-25)7-9-20/h3-9,13,16H,10-11,14-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097072
(4-{5-[4-(3-Chloro-phenyl)-piperazine-1-carbonyl]-i...)Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)c1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(12-19)26-8-10-27(11-9-26)22(29)21-14-25-16-28(21)15-18-6-4-17(13-24)5-7-18/h1-7,12,14,16H,8-11,15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097078
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazine-1-carbo...)Show SMILES Clc1cccc(c1)N1CCN(CC1=O)C(=O)c1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C22H18ClN5O2/c23-18-2-1-3-19(10-18)28-9-8-26(14-21(28)29)22(30)20-12-25-15-27(20)13-17-6-4-16(11-24)5-7-17/h1-7,10,12,15H,8-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097081
(4-{5-[4-(3-Chloro-phenyl)-2-oxo-piperazin-1-ylmeth...)Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)C(=O)C1 Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)26-8-9-27(22(29)15-26)14-21-12-25-16-28(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097079
(4-{5-[4-(3-Chloro-phenyl)-piperazin-1-ylmethyl]-im...)Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C22H22ClN5/c23-20-2-1-3-21(12-20)27-10-8-26(9-11-27)16-22-14-25-17-28(22)15-19-6-4-18(13-24)5-7-19/h1-7,12,14,17H,8-11,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50097077
(4-[5-(2,5-Dioxo-4-phenyl-piperazin-1-ylmethyl)-imi...)Show SMILES O=C1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C22H19N5O2/c23-10-17-6-8-18(9-7-17)12-26-16-24-11-20(26)13-25-14-22(29)27(15-21(25)28)19-4-2-1-3-5-19/h1-9,11,16H,12-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase |
Bioorg Med Chem Lett 11: 537-40 (2001)
BindingDB Entry DOI: 10.7270/Q2TT4Q7P |
More data for this
Ligand-Target Pair | |
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