Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50005982 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)) | BDBM50495899
(CHEMBL3115256)Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)NC2CCCCC2)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C31H37ClN6O2/c1-31(40,27-19-33-20-36(27)2)26-17-21-7-6-12-34-28(21)29(24-11-10-22(32)18-25(24)26)37-13-15-38(16-14-37)30(39)35-23-8-4-3-5-9-23/h6-7,10-12,17-20,23,29,40H,3-5,8-9,13-16H2,1-2H3,(H,35,39)/t29-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
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 FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495912
(CHEMBL3115255)Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(N)=O)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C25H27ClN6O2/c1-25(34,21-14-28-15-30(21)2)20-12-16-4-3-7-29-22(16)23(18-6-5-17(26)13-19(18)20)31-8-10-32(11-9-31)24(27)33/h3-7,12-15,23,34H,8-11H2,1-2H3,(H2,27,33)/t23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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 FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495906
(CHEMBL3115258)Show SMILES CC(C)OC(=O)N1CCN(CC1)[C@H]1c2ccc(Cl)cc2C(=Cc2cccnc12)[C@](C)(O)c1cncn1C |r,c:22| Show InChI InChI=1S/C28H32ClN5O3/c1-18(2)37-27(35)34-12-10-33(11-13-34)26-21-8-7-20(29)15-22(21)23(14-19-6-5-9-31-25(19)26)28(3,36)24-16-30-17-32(24)4/h5-9,14-18,26,36H,10-13H2,1-4H3/t26-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495911
(CHEMBL601202)Show SMILES Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:9| Show InChI InChI=1S/C28H32ClN5O3/c1-28(2,3)37-27(36)34-12-10-33(11-13-34)25-20-8-7-19(29)15-21(20)22(14-18-6-5-9-31-24(18)25)26(35)23-16-30-17-32(23)4/h5-9,14-17,25-26,35H,10-13H2,1-4H3/t25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
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
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495918
(CHEMBL3115265)Show SMILES Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)NC2CCCCC2)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C31H37ClN6O2/c1-31(40,27-19-33-20-36(27)2)26-17-21-7-6-12-34-28(21)29(24-11-10-22(32)18-25(24)26)37-13-15-38(16-14-37)30(39)35-23-8-4-3-5-9-23/h6-7,10-12,17-20,23,29,40H,3-5,8-9,13-16H2,1-2H3,(H,35,39)/t29-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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 FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495902
(CHEMBL3115429)Show SMILES Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC2CCCC2)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C30H34ClN5O3/c1-30(38,26-18-32-19-34(26)2)25-16-20-6-5-11-33-27(20)28(23-10-9-21(31)17-24(23)25)35-12-14-36(15-13-35)29(37)39-22-7-3-4-8-22/h5-6,9-11,16-19,22,28,38H,3-4,7-8,12-15H2,1-2H3/t28-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495913
(CHEMBL3115261)Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC2CCCC2)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C30H34ClN5O3/c1-30(38,26-18-32-19-34(26)2)25-16-20-6-5-11-33-27(20)28(23-10-9-21(31)17-24(23)25)35-12-14-36(15-13-35)29(37)39-22-7-3-4-8-22/h5-6,9-11,16-19,22,28,38H,3-4,7-8,12-15H2,1-2H3/t28-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495905
(CHEMBL3115426)Show SMILES CC(C)OC(=O)N1CCN(CC1)[C@H]1c2ccc(Cl)cc2C(=Cc2cccnc12)[C@@](C)(O)c1cncn1C |r,c:22| Show InChI InChI=1S/C28H32ClN5O3/c1-18(2)37-27(35)34-12-10-33(11-13-34)26-21-8-7-20(29)15-22(21)23(14-19-6-5-9-31-25(19)26)28(3,36)24-16-30-17-32(24)4/h5-9,14-18,26,36H,10-13H2,1-4H3/t26-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495907
(CHEMBL3115266)Show SMILES Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)NC(C)(C)C)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C29H35ClN6O2/c1-28(2,3)33-27(37)36-13-11-35(12-14-36)26-21-9-8-20(30)16-22(21)23(15-19-7-6-10-32-25(19)26)29(4,38)24-17-31-18-34(24)5/h6-10,15-18,26,38H,11-14H2,1-5H3,(H,33,37)/t26-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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 FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495922
(CHEMBL3115254)Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)Nc2ccc(cc2)C#N)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C32H30ClN7O2/c1-32(42,28-19-35-20-38(28)2)27-16-22-4-3-11-36-29(22)30(25-10-7-23(33)17-26(25)27)39-12-14-40(15-13-39)31(41)37-24-8-5-21(18-34)6-9-24/h3-11,16-17,19-20,30,42H,12-15H2,1-2H3,(H,37,41)/t30-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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 FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495917
(CHEMBL3115257)Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)NC(C)(C)C)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C29H35ClN6O2/c1-28(2,3)33-27(37)36-13-11-35(12-14-36)26-21-9-8-20(30)16-22(21)23(15-19-7-6-10-32-25(19)26)29(4,38)24-17-31-18-34(24)5/h6-10,15-18,26,38H,11-14H2,1-5H3,(H,33,37)/t26-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495901
(CHEMBL3115253)Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C29H34ClN5O3/c1-28(2,3)38-27(36)35-13-11-34(12-14-35)26-21-9-8-20(30)16-22(21)23(15-19-7-6-10-32-25(19)26)29(4,37)24-17-31-18-33(24)5/h6-10,15-18,26,37H,11-14H2,1-5H3/t26-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495904
(CHEMBL3115427)Show SMILES Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC2CCCCC2)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C31H36ClN5O3/c1-31(39,27-19-33-20-35(27)2)26-17-21-7-6-12-34-28(21)29(24-11-10-22(32)18-25(24)26)36-13-15-37(16-14-36)30(38)40-23-8-4-3-5-9-23/h6-7,10-12,17-20,23,29,39H,3-5,8-9,13-16H2,1-2H3/t29-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495914
(CHEMBL3115259)Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC2CCCCC2)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C31H36ClN5O3/c1-31(39,27-19-33-20-35(27)2)26-17-21-7-6-12-34-28(21)29(24-11-10-22(32)18-25(24)26)36-13-15-37(16-14-36)30(38)40-23-8-4-3-5-9-23/h6-7,10-12,17-20,23,29,39H,3-5,8-9,13-16H2,1-2H3/t29-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495900
(CHEMBL3115263)Show SMILES Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)Nc2ccc(cc2)C#N)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C32H30ClN7O2/c1-32(42,28-19-35-20-38(28)2)27-16-22-4-3-11-36-29(22)30(25-10-7-23(33)17-26(25)27)39-12-14-40(15-13-39)31(41)37-24-8-5-21(18-34)6-9-24/h3-11,16-17,19-20,30,42H,12-15H2,1-2H3,(H,37,41)/t30-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495920
(CHEMBL3115251)Show SMILES Cn1cncc1C(C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C29H34ClN5O3/c1-28(2,3)38-27(36)35-13-11-34(12-14-35)26-21-9-8-20(30)16-22(21)23(15-19-7-6-10-32-25(19)26)29(4,37)24-17-31-18-33(24)5/h6-10,15-18,26,37H,11-14H2,1-5H3/t26-,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495909
(CHEMBL3115248)Show SMILES [H][C@]12C[C@]1(c1cc(Cl)ccc1[C@H](N1CCN(CC1)C(=O)OC(C)(C)C)c1ncccc21)C(C)(O)c1cncn1C |r| Show InChI InChI=1S/C30H36ClN5O3/c1-28(2,3)39-27(37)36-13-11-35(12-14-36)26-21-9-8-19(31)15-22(21)30(29(4,38)24-17-32-18-34(24)5)16-23(30)20-7-6-10-33-25(20)26/h6-10,15,17-18,23,26,38H,11-14,16H2,1-5H3/t23-,26+,29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495919
(CHEMBL3115262)Show SMILES Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C29H34ClN5O3/c1-28(2,3)38-27(36)35-13-11-34(12-14-35)26-21-9-8-20(30)16-22(21)23(15-19-7-6-10-32-25(19)26)29(4,37)24-17-31-18-33(24)5/h6-10,15-18,26,37H,11-14H2,1-5H3/t26-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495923
(CHEMBL3115430)Show SMILES [H][C@]12C[C@@]1(C(=O)c1cncn1C)c1cc(Cl)ccc1[C@H](N1CCN(CC1)C(=O)OC(C)(C)C)c1ncccc21 |r| Show InChI InChI=1S/C29H32ClN5O3/c1-28(2,3)38-27(37)35-12-10-34(11-13-35)25-20-8-7-18(30)14-21(20)29(26(36)23-16-31-17-33(23)4)15-22(29)19-6-5-9-32-24(19)25/h5-9,14,16-17,22,25H,10-13,15H2,1-4H3/t22-,25+,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495915
(CHEMBL3115431)Show SMILES [H][C@@]12C[C@]1(C(=O)c1cncn1C)c1cc(Cl)ccc1[C@H](N1CCN(CC1)C(=O)OC(C)(C)C)c1ncccc21 |r| Show InChI InChI=1S/C29H32ClN5O3/c1-28(2,3)38-27(37)35-12-10-34(11-13-35)25-20-8-7-18(30)14-21(20)29(26(36)23-16-31-17-33(23)4)15-22(29)19-6-5-9-32-24(19)25/h5-9,14,16-17,22,25H,10-13,15H2,1-4H3/t22-,25-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495921
(CHEMBL3115252)Show SMILES CCC(O)(c1cncn1C)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:11| Show InChI InChI=1S/C30H36ClN5O3/c1-6-30(38,25-18-32-19-34(25)5)24-16-20-8-7-11-33-26(20)27(22-10-9-21(31)17-23(22)24)35-12-14-36(15-13-35)28(37)39-29(2,3)4/h7-11,16-19,27,38H,6,12-15H2,1-5H3/t27-,30?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495903
(CHEMBL3115260)Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC2(C)CCCCC2)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C32H38ClN5O3/c1-31(11-5-4-6-12-31)41-30(39)38-16-14-37(15-17-38)29-24-10-9-23(33)19-25(24)26(18-22-8-7-13-35-28(22)29)32(2,40)27-20-34-21-36(27)3/h7-10,13,18-21,29,40H,4-6,11-12,14-17H2,1-3H3/t29-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495910
(CHEMBL603067)Show SMILES Cn1cncc1[C@@H](O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:9| Show InChI InChI=1S/C28H32ClN5O3/c1-28(2,3)37-27(36)34-12-10-33(11-13-34)25-20-8-7-19(29)15-21(20)22(14-18-6-5-9-31-24(18)25)26(35)23-16-30-17-32(23)4/h5-9,14-17,25-26,35H,10-13H2,1-4H3/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495916
(CHEMBL3115250)Show SMILES Cn1cncc1C(=O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:9| Show InChI InChI=1S/C28H30ClN5O3/c1-28(2,3)37-27(36)34-12-10-33(11-13-34)25-20-8-7-19(29)15-21(20)22(14-18-6-5-9-31-24(18)25)26(35)23-16-30-17-32(23)4/h5-9,14-17,25H,10-13H2,1-4H3/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495908
(CHEMBL3115249)Show SMILES [H][C@@]12C[C@@]1(c1cc(Cl)ccc1[C@H](N1CCN(CC1)C(=O)OC(C)(C)C)c1ncccc21)C(C)(O)c1cncn1C |r| Show InChI InChI=1S/C30H36ClN5O3/c1-28(2,3)39-27(37)36-13-11-35(12-14-36)26-21-9-8-19(31)15-22(21)30(29(4,38)24-17-32-18-34(24)5)16-23(30)20-7-6-10-33-25(20)26/h6-10,15,17-18,23,26,38H,11-14,16H2,1-5H3/t23-,26-,29?,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50495898
(CHEMBL3115264)Show SMILES Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(N)=O)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C25H27ClN6O2/c1-25(34,21-14-28-15-30(21)2)20-12-16-4-3-7-29-22(16)23(18-6-5-17(26)13-19(18)20)31-8-10-32(11-9-31)24(27)33/h3-7,12-15,23,34H,8-11H2,1-2H3,(H2,27,33)/t23-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-... |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50495901
(CHEMBL3115253)Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:10| Show InChI InChI=1S/C29H34ClN5O3/c1-28(2,3)38-27(36)35-13-11-34(12-14-35)26-21-9-8-20(30)16-22(21)23(15-19-7-6-10-32-25(19)26)29(4,37)24-17-31-18-33(24)5/h6-10,15-18,26,37H,11-14H2,1-5H3/t26-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50495911
(CHEMBL601202)Show SMILES Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:9| Show InChI InChI=1S/C28H32ClN5O3/c1-28(2,3)37-27(36)34-12-10-33(11-13-34)25-20-8-7-19(29)15-21(20)22(14-18-6-5-9-31-24(18)25)26(35)23-16-30-17-32(23)4/h5-9,14-17,25-26,35H,10-13H2,1-4H3/t25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 24: 1228-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.046
BindingDB Entry DOI: 10.7270/Q26H4MCJ |
More data for this
Ligand-Target Pair | |
Search and Browse
