Found 528 hits with Last Name = 'culberson' and Initial = 'jc' 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 |
|---|
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50121964
(3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC(CCc2ccc3CCCNc3n2)C1=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C28H31N5O4/c34-25(32-24(15-26(35)36)21-14-20-4-1-2-6-23(20)30-16-21)17-33-13-11-19(28(33)37)8-10-22-9-7-18-5-3-12-29-27(18)31-22/h1-2,4,6-7,9,14,16,19,24H,3,5,8,10-13,15,17H2,(H,29,31)(H,32,34)(H,35,36)/t19?,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Vitronectin receptor, integrin alphaV-beta3 expressed in HEK 293 cells |
J Med Chem 45: 5640-8 (2002)
BindingDB Entry DOI: 10.7270/Q2VM4BKV |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092512
(2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Vitronectin receptor, integrin alphaV-beta3 expressed in HEK 293 cells |
J Med Chem 45: 5640-8 (2002)
BindingDB Entry DOI: 10.7270/Q2VM4BKV |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092511
(3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Vitronectin receptor, integrin alphaV-beta3 expressed in HEK 293 cells |
J Med Chem 45: 5640-8 (2002)
BindingDB Entry DOI: 10.7270/Q2VM4BKV |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092509
((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to human Vitronectin receptor (integrin alphaV-beta3) |
J Med Chem 46: 5316-25 (2003)
Article DOI: 10.1021/jm030146j
BindingDB Entry DOI: 10.7270/Q23R0S9P |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50101929
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13 Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2 | 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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM |
Bioorg Med Chem Lett 11: 1817-21 (2001)
BindingDB Entry DOI: 10.7270/Q2R210PG |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50101929
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13 Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2 | 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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139186
(4-allyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)Show SMILES C=CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C26H25N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h2,4-7,10-11,13,18H,1,3,8-9,14-17H2 | 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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50135967
(2-((S)-(1R,7S)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]he...)Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCc3ccc4CCCNc4n3)cc1)C(O)=O)C(=O)C2 |THB:39:38:1:5.4| Show InChI InChI=1S/C30H38N4O6S/c1-29(2)22-13-14-30(29,25(35)16-22)18-41(39,40)34-24(28(37)38)17-32-27(36)21-8-5-19(6-9-21)7-11-23-12-10-20-4-3-15-31-26(20)33-23/h5-6,8-10,12,22,24,34H,3-4,7,11,13-18H2,1-2H3,(H,31,33)(H,32,36)(H,37,38)/t22-,24+,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to human Vitronectin receptor (integrin alphaV-beta3) |
J Med Chem 46: 5316-25 (2003)
Article DOI: 10.1021/jm030146j
BindingDB Entry DOI: 10.7270/Q23R0S9P |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50081221
(4-{5-[(S)-2-Butyl-4-(3-chloro-phenyl)-5-oxo-pipera...)Show SMILES CCCC[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C26H28ClN5O/c1-2-3-6-24-17-32(23-7-4-5-22(27)12-23)26(33)18-30(24)16-25-14-29-19-31(25)15-21-10-8-20(13-28)9-11-21/h4-5,7-12,14,19,24H,2-3,6,15-18H2,1H3/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.110 | 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 human K-Ras by Farnesyltransferase |
J Med Chem 42: 3779-84 (1999)
BindingDB Entry DOI: 10.7270/Q2F47NB1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50083763
(CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...)Show SMILES CNc1cccc(CCOc2ccc3C[C@@H](CC(O)=O)C(=O)N(CC(F)(F)F)Cc3c2)n1 Show InChI InChI=1S/C22H24F3N3O4/c1-26-19-4-2-3-17(27-19)7-8-32-18-6-5-14-9-15(11-20(29)30)21(31)28(12-16(14)10-18)13-22(23,24)25/h2-6,10,15H,7-9,11-13H2,1H3,(H,26,27)(H,29,30)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to human Vitronectin receptor (integrin alphaV-beta3) |
J Med Chem 46: 5316-25 (2003)
Article DOI: 10.1021/jm030146j
BindingDB Entry DOI: 10.7270/Q23R0S9P |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50081212
(4-{5-[(S)-2-Butyl-5-oxo-4-(3-trifluoromethyl-pheno...)Show SMILES CCCC[C@H]1CN(Oc2cccc(c2)C(F)(F)F)C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C27H28F3N5O2/c1-2-3-6-23-17-35(37-25-7-4-5-22(12-25)27(28,29)30)26(36)18-33(23)16-24-14-32-19-34(24)15-21-10-8-20(13-31)9-11-21/h4-5,7-12,14,19,23H,2-3,6,15-18H2,1H3/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >0.150 | 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 human K-Ras by Farnesyltransferase |
J Med Chem 42: 3779-84 (1999)
BindingDB Entry DOI: 10.7270/Q2F47NB1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50083763
(CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...)Show SMILES CNc1cccc(CCOc2ccc3C[C@@H](CC(O)=O)C(=O)N(CC(F)(F)F)Cc3c2)n1 Show InChI InChI=1S/C22H24F3N3O4/c1-26-19-4-2-3-17(27-19)7-8-32-18-6-5-14-9-15(11-20(29)30)21(31)28(12-16(14)10-18)13-22(23,24)25/h2-6,10,15H,7-9,11-13H2,1H3,(H,26,27)(H,29,30)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Vitronectin receptor, integrin alphaV-beta3 expressed in HEK 293 cells |
J Med Chem 45: 5640-8 (2002)
BindingDB Entry DOI: 10.7270/Q2VM4BKV |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50081215
(4-{5-[(S)-4-(3-Chloro-phenyl)-2-ethanesulfonylmeth...)Show SMILES CCS(=O)(=O)C[C@@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C25H26ClN5O3S/c1-2-35(33,34)17-24-15-31(22-5-3-4-21(26)10-22)25(32)16-29(24)14-23-12-28-18-30(23)13-20-8-6-19(11-27)7-9-20/h3-10,12,18,24H,2,13-17H2,1H3/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.180 | 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 human K-Ras by Farnesyltransferase |
J Med Chem 42: 3779-84 (1999)
BindingDB Entry DOI: 10.7270/Q2F47NB1 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50039563
((R)-N*1*-[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-...)Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31+,32-,33+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against HIV protease enzyme |
J Med Chem 37: 2506-8 (1994)
BindingDB Entry DOI: 10.7270/Q2WQ02VZ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Bos taurus (bovine)) | BDBM50083595
(3-[3-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-4-2-6-15(8-13)21-14-5-1-3-11(7-14)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine Farnesyltransferase in vitro. |
Bioorg Med Chem Lett 9: 3301-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q52NT7 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139202
(4-methyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)Show SMILES Cc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C24H23N5O2/c1-17-2-5-22-9-20(17)13-28-7-6-27(15-24(28)30)14-21-11-26-16-29(21)12-18-3-4-19(10-25)23(8-18)31-22/h2-5,8-9,11,16H,6-7,12-15H2,1H3 | 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 | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50101929
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13 Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2 | 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 | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139196
(4-chloro-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)Show SMILES Clc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C23H20ClN5O2/c24-21-4-3-20-8-18(21)12-28-6-5-27(14-23(28)30)13-19-10-26-15-29(19)11-16-1-2-17(9-25)22(7-16)31-20/h1-4,7-8,10,15H,5-6,11-14H2 | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139190
(4-propyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)Show SMILES CCCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C26H27N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h4-7,10-11,13,18H,2-3,8-9,14-17H2,1H3 | 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 | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139202
(4-methyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)Show SMILES Cc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C24H23N5O2/c1-17-2-5-22-9-20(17)13-28-7-6-27(15-24(28)30)14-21-11-26-16-29(21)12-18-3-4-19(10-25)23(8-18)31-22/h2-5,8-9,11,16H,6-7,12-15H2,1H3 | 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 | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50107397
((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...)Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to human Vitronectin receptor (integrin alphaV-beta3) |
J Med Chem 46: 5316-25 (2003)
Article DOI: 10.1021/jm030146j
BindingDB Entry DOI: 10.7270/Q23R0S9P |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50121963
(3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC(CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17?,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Vitronectin receptor, integrin alphaV-beta3 expressed in HEK 293 cells |
J Med Chem 45: 5640-8 (2002)
BindingDB Entry DOI: 10.7270/Q2VM4BKV |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Bos taurus (bovine)) | BDBM50083589
(3-[4-((S)-2-Amino-3-mercapto-propylamino)-phenoxy]...)Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-4-6-14(7-5-13)21-15-3-1-2-11(8-15)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine Farnesyltransferase in vitro. |
Bioorg Med Chem Lett 9: 3301-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q52NT7 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50079667
((S)-2-[3-({(4-Cyano-benzyl)-[3-(4-cyano-benzyl)-3H...)Show SMILES CSCC[C@H](NC(=O)c1cccc(CN(Cc2cncn2Cc2ccc(cc2)C#N)Cc2ccc(cc2)C#N)c1)C(O)=O Show InChI InChI=1S/C33H32N6O3S/c1-43-14-13-31(33(41)42)37-32(40)29-4-2-3-28(15-29)20-38(19-26-9-5-24(16-34)6-10-26)22-30-18-36-23-39(30)21-27-11-7-25(17-35)8-12-27/h2-12,15,18,23,31H,13-14,19-22H2,1H3,(H,37,40)(H,41,42)/t31-/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 | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Reduction in the FTase-catalyzed (enzyme purified from bovine brain) incorporation of [3H]-FPP into recombinant Ha-Ras. |
Bioorg Med Chem Lett 9: 1991-6 (1999)
BindingDB Entry DOI: 10.7270/Q2ZG6RFB |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.440 | 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 human K-Ras by Farnesyltransferase |
J Med Chem 42: 3779-84 (1999)
BindingDB Entry DOI: 10.7270/Q2F47NB1 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139190
(4-propyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)Show SMILES CCCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C26H27N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h4-7,10-11,13,18H,2-3,8-9,14-17H2,1H3 | 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 | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139189
(4-bromo-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)Show SMILES Brc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C23H20BrN5O2/c24-21-4-3-20-8-18(21)12-28-6-5-27(14-23(28)30)13-19-10-26-15-29(19)11-16-1-2-17(9-25)22(7-16)31-20/h1-4,7-8,10,15H,5-6,11-14H2 | 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 | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Bos taurus (bovine)) | BDBM50083575
(4-{5-[(4-Benzenesulfonyl-3-methyl-phenylamino)-met...)Show SMILES Cc1ncc(CNc2ccc(c(C)c2)S(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)C#N Show InChI InChI=1S/C26H24N4O2S/c1-19-14-23(12-13-26(19)33(31,32)25-6-4-3-5-7-25)29-17-24-16-28-20(2)30(24)18-22-10-8-21(15-27)9-11-22/h3-14,16,29H,17-18H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine Farnesyltransferase in vitro. |
Bioorg Med Chem Lett 9: 3301-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q52NT7 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50101925
(16-benzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...)Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1ccccc1)ccc4C#N)cc23 Show InChI InChI=1S/C31H25N5O2/c32-16-24-10-9-22-14-30(24)38-26-12-11-23-7-4-8-28(27(23)15-26)35-31(37)29(13-21-5-2-1-3-6-21)34-18-25-17-33-20-36(25)19-22/h1-12,14-15,17,20,29,34H,13,18-19H2,(H,35,37)/t29-/m1/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 | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM |
Bioorg Med Chem Lett 11: 1817-21 (2001)
BindingDB Entry DOI: 10.7270/Q2R210PG |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139198
(4-(1-ethynyl)-23-oxo-8-oxa-1,15,17,21-tetraazapent...)Show SMILES O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1C#C Show InChI InChI=1S/C25H21N5O2/c1-2-19-5-6-23-10-21(19)14-29-8-7-28(16-25(29)31)15-22-12-27-17-30(22)13-18-3-4-20(11-26)24(9-18)32-23/h1,3-6,9-10,12,17H,7-8,13-16H2 | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139195
(4-(2,2-dimethyl-1,3-dioxolan-4-ylmethyl)-23-oxo-8-...)Show SMILES CC1(C)OCC(Cc2ccc3Oc4cc(Cn5cncc5CN5CCN(Cc2c3)C(=O)C5)ccc4C#N)O1 Show InChI InChI=1S/C29H31N5O4/c1-29(2)36-18-26(38-29)10-21-5-6-25-11-23(21)15-33-8-7-32(17-28(33)35)16-24-13-31-19-34(24)14-20-3-4-22(12-30)27(9-20)37-25/h3-6,9,11,13,19,26H,7-8,10,14-18H2,1-2H3 | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM16179
(4-{[5-({[(3S)-1-(3-chlorobenzyl)-2-oxopyrrolidin-3...)Show SMILES Clc1cccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1 |r| Show InChI InChI=1S/C23H22ClN5O/c24-20-3-1-2-19(10-20)15-28-9-8-22(23(28)30)27-13-21-12-26-16-29(21)14-18-6-4-17(11-25)5-7-18/h1-7,10,12,16,22,27H,8-9,13-15H2/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells |
J Med Chem 44: 2933-49 (2001)
BindingDB Entry DOI: 10.7270/Q2FF3RNW |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139186
(4-allyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)Show SMILES C=CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C26H25N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h2,4-7,10-11,13,18H,1,3,8-9,14-17H2 | 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 | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139200
(4-cyclopropylmethyl-23-oxo-8-oxa-1,15,17,21-tetraa...)Show SMILES O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1CC1CC1 Show InChI InChI=1S/C27H27N5O2/c28-12-22-4-3-20-10-26(22)34-25-6-5-21(9-19-1-2-19)23(11-25)15-31-8-7-30(17-27(31)33)16-24-13-29-18-32(24)14-20/h3-6,10-11,13,18-19H,1-2,7-9,14-17H2 | 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 | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139191
(4-ethyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)Show SMILES CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C25H25N5O2/c1-2-19-5-6-23-10-21(19)14-29-8-7-28(16-25(29)31)15-22-12-27-17-30(22)13-18-3-4-20(11-26)24(9-18)32-23/h3-6,9-10,12,17H,2,7-8,13-16H2,1H3 | 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 | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Bos taurus (bovine)) | BDBM50083578
(4-{5-[(4-Benzenesulfonyl-phenylamino)-methyl]-imid...)Show SMILES O=S(=O)(c1ccccc1)c1ccc(NCc2cncn2Cc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C24H20N4O2S/c25-14-19-6-8-20(9-7-19)17-28-18-26-15-22(28)16-27-21-10-12-24(13-11-21)31(29,30)23-4-2-1-3-5-23/h1-13,15,18,27H,16-17H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine Farnesyltransferase in vitro. |
Bioorg Med Chem Lett 9: 3301-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q52NT7 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Bos taurus (bovine)) | BDBM50083580
(4-{5-[(4-Benzoyl-phenylamino)-methyl]-imidazol-1-y...)Show SMILES O=C(c1ccccc1)c1ccc(NCc2cncn2Cc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C25H20N4O/c26-14-19-6-8-20(9-7-19)17-29-18-27-15-24(29)16-28-23-12-10-22(11-13-23)25(30)21-4-2-1-3-5-21/h1-13,15,18,28H,16-17H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine Farnesyltransferase in vitro. |
Bioorg Med Chem Lett 9: 3301-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q52NT7 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139195
(4-(2,2-dimethyl-1,3-dioxolan-4-ylmethyl)-23-oxo-8-...)Show SMILES CC1(C)OCC(Cc2ccc3Oc4cc(Cn5cncc5CN5CCN(Cc2c3)C(=O)C5)ccc4C#N)O1 Show InChI InChI=1S/C29H31N5O4/c1-29(2)36-18-26(38-29)10-21-5-6-25-11-23(21)15-33-8-7-32(17-28(33)35)16-24-13-31-19-34(24)14-20-3-4-22(12-30)27(9-20)37-25/h3-6,9,11,13,19,26H,7-8,10,14-18H2,1-2H3 | 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 | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139185
(4-fluoro-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)Show SMILES Fc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C23H20FN5O2/c24-21-4-3-20-8-18(21)12-28-6-5-27(14-23(28)30)13-19-10-26-15-29(19)11-16-1-2-17(9-25)22(7-16)31-20/h1-4,7-8,10,15H,5-6,11-14H2 | 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 | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Geranylgeranyl transferase type I incorporation of [3H]-GGPP into biotinylated peptide corresponding to the C-terminus of human K... |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139185
(4-fluoro-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)Show SMILES Fc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C23H20FN5O2/c24-21-4-3-20-8-18(21)12-28-6-5-27(14-23(28)30)13-19-10-26-15-29(19)11-16-1-2-17(9-25)22(7-16)31-20/h1-4,7-8,10,15H,5-6,11-14H2 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM14025
((1R,2R,5R)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahe...)Show SMILES O=C1[C@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C25H23N5O3/c26-11-17-2-1-16-9-24(17)33-19-3-4-23-20(10-19)22(6-8-32-23)30-7-5-21(25(30)31)28-13-18-12-27-15-29(18)14-16/h1-4,9-10,12,15,21-22,28H,5-8,13-14H2/t21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin... |
J Med Chem 45: 2388-409 (2002)
Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Bos taurus (bovine)) | BDBM50083591
(4-{5-[(4-Benzenesulfonyl-3-methyl-phenylamino)-met...)Show SMILES Cc1cc(NCc2cncn2Cc2ccc(cc2)C#N)ccc1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H22N4O2S/c1-19-13-22(11-12-25(19)32(30,31)24-5-3-2-4-6-24)28-16-23-15-27-18-29(23)17-21-9-7-20(14-26)8-10-21/h2-13,15,18,28H,16-17H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine Farnesyltransferase in vitro. |
Bioorg Med Chem Lett 9: 3301-6 (2000)
BindingDB Entry DOI: 10.7270/Q2Q52NT7 |
More data for this
Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50081214
(CHEMBL340493 | [(S)-4-((S)-2-Amino-2-mercapto-ethy...)Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)S)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H29N3OS/c1-2-3-9-17-14-24(13-12-23(17)15-20(22)26)21(25)19-11-6-8-16-7-4-5-10-18(16)19/h4-8,10-11,17,20,26H,2-3,9,12-15,22H2,1H3/t17-,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | 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 human K-Ras by Farnesyltransferase |
J Med Chem 42: 3779-84 (1999)
BindingDB Entry DOI: 10.7270/Q2F47NB1 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139196
(4-chloro-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)Show SMILES Clc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C23H20ClN5O2/c24-21-4-3-20-8-18(21)12-28-6-5-27(14-23(28)30)13-19-10-26-15-29(19)11-16-1-2-17(9-25)22(7-16)31-20/h1-4,7-8,10,15H,5-6,11-14H2 | 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 | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Geranylgeranyl transferase type I incorporation of [3H]-GGPP into biotinylated peptide corresponding to the C-terminus of human K... |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM14018
((17R, 20R)-19,20,21,22-Tetrahydro-19-oxo-17H-15,-1...)Show SMILES O=C1[C@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin... |
J Med Chem 45: 2388-409 (2002)
Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM14023
((1R,2R,5R)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)Show SMILES O=C1[C@H]2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C26H25N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h4-7,10-11,13,16,23-24,29H,1-3,8-9,14-15H2/t23-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin... |
J Med Chem 45: 2388-409 (2002)
Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50103360
((3-{[1-(3-Chloro-benzyl)-2-oxo-pyrrolidin-3-yl]-[3...)Show SMILES CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2cccc(Cl)c2)C1=O Show InChI InChI=1S/C31H37ClN6O3/c1-31(2,3)41-30(40)35-13-5-14-36(28-12-15-37(29(28)39)20-25-6-4-7-26(32)16-25)21-27-18-34-22-38(27)19-24-10-8-23(17-33)9-11-24/h4,6-11,16,18,22,28H,5,12-15,19-21H2,1-3H3,(H,35,40)/t28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells |
J Med Chem 44: 2933-49 (2001)
BindingDB Entry DOI: 10.7270/Q2FF3RNW |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139189
(4-bromo-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)Show SMILES Brc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C23H20BrN5O2/c24-21-4-3-20-8-18(21)12-28-6-5-27(14-23(28)30)13-19-10-26-15-29(19)11-16-1-2-17(9-25)22(7-16)31-20/h1-4,7-8,10,15H,5-6,11-14H2 | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM14014
((5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....)Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C27H23N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-7,12-13,15,17,24,30H,8-11,16H2/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin... |
J Med Chem 45: 2388-409 (2002)
Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139191
(4-ethyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)Show SMILES CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C25H25N5O2/c1-2-19-5-6-23-10-21(19)14-29-8-7-28(16-25(29)31)15-22-12-27-17-30(22)13-18-3-4-20(11-26)24(9-18)32-23/h3-6,9-10,12,17H,2,7-8,13-16H2,1H3 | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this
Ligand-Target Pair | |
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