Found 293 hits with Last Name = 'malwal' and Initial = 'sr' 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 |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM25259
(3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphono...)Show SMILES CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human FPPS using IPP and GPP |
J Med Chem 62: 2564-2581 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01878 BindingDB Entry DOI: 10.7270/Q2S75KV9 |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [14C] IPP as ... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [14C] IPP as ... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using IPP as su... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using IPP as su... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531178
(CHEMBL4546517)Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531178
(CHEMBL4546517)Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531178
(CHEMBL4546517)Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/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 | 194 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531178
(CHEMBL4546517)Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/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 | 194 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using DMAPP and... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using DMAPP and... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531185
(CHEMBL4472267)Show SMILES [H][C@@]12CC3OC[C@@]1(CCCC2(C)C)C1=C3C=C(C(C)C)C(=O)C1=O |r,c:15,t:18| Show InChI InChI=1S/C20H26O3/c1-11(2)12-8-13-14-9-15-19(3,4)6-5-7-20(15,10-23-14)16(13)18(22)17(12)21/h8,11,14-15H,5-7,9-10H2,1-4H3/t14?,15-,20+/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM25271
(3-[(3,7-dimethyloctyl)oxy]-1-(2-hydrogen phosphona...)Show SMILES CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C17H31NO7P2/c1-14(2)6-4-7-15(3)9-11-25-16-8-5-10-18(12-16)13-17(26(19,20)21)27(22,23)24/h5,8,10,12,14-15,17H,4,6-7,9,11,13H2,1-3H3,(H3-,19,20,21,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human FPPS using IPP and GPP |
J Med Chem 62: 2564-2581 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01878 BindingDB Entry DOI: 10.7270/Q2S75KV9 |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531175
(CHEMBL4469324)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C |r,c:11,t:5| Show InChI InChI=1S/C28H37N3O6/c1-14(2)16-12-17-18(32)13-19-27(7,8)10-9-11-28(19,20(17)22(34)21(16)33)24-31-30-23(36-24)15(3)29-25(35)37-26(4,5)6/h12,14-15,19H,9-11,13H2,1-8H3,(H,29,35)/t15-,19-,28+/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM25271
(3-[(3,7-dimethyloctyl)oxy]-1-(2-hydrogen phosphona...)Show SMILES CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C17H31NO7P2/c1-14(2)6-4-7-15(3)9-11-25-16-8-5-10-18(12-16)13-17(26(19,20)21)27(22,23)24/h5,8,10,12,14-15,17H,4,6-7,9,11,13H2,1-3H3,(H3-,19,20,21,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human FPPS using IPP and GPP as substrate |
J Med Chem 62: 2564-2581 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01878 BindingDB Entry DOI: 10.7270/Q2S75KV9 |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531185
(CHEMBL4472267)Show SMILES [H][C@@]12CC3OC[C@@]1(CCCC2(C)C)C1=C3C=C(C(C)C)C(=O)C1=O |r,c:15,t:18| Show InChI InChI=1S/C20H26O3/c1-11(2)12-8-13-14-9-15-19(3,4)6-5-7-20(15,10-23-14)16(13)18(22)17(12)21/h8,11,14-15H,5-7,9-10H2,1-4H3/t14?,15-,20+/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531175
(CHEMBL4469324)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C |r,c:11,t:5| Show InChI InChI=1S/C28H37N3O6/c1-14(2)16-12-17-18(32)13-19-27(7,8)10-9-11-28(19,20(17)22(34)21(16)33)24-31-30-23(36-24)15(3)29-25(35)37-26(4,5)6/h12,14-15,19H,9-11,13H2,1-8H3,(H,29,35)/t15-,19-,28+/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531224
(CHEMBL4440615)Show SMILES [H][C@@]12CC(OC)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)C(=O)OC |r,c:12,t:6| Show InChI InChI=1S/C22H30O5/c1-12(2)13-10-14-15(26-5)11-16-21(3,4)8-7-9-22(16,20(25)27-6)17(14)19(24)18(13)23/h10,12,15-16H,7-9,11H2,1-6H3/t15?,16-,22+/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 | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531224
(CHEMBL4440615)Show SMILES [H][C@@]12CC(OC)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)C(=O)OC |r,c:12,t:6| Show InChI InChI=1S/C22H30O5/c1-12(2)13-10-14-15(26-5)11-16-21(3,4)8-7-9-22(16,20(25)27-6)17(14)19(24)18(13)23/h10,12,15-16H,7-9,11H2,1-6H3/t15?,16-,22+/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 | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human FPPS using IPP and GPP |
J Med Chem 62: 2564-2581 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01878 BindingDB Entry DOI: 10.7270/Q2S75KV9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531175
(CHEMBL4469324)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C |r,c:11,t:5| Show InChI InChI=1S/C28H37N3O6/c1-14(2)16-12-17-18(32)13-19-27(7,8)10-9-11-28(19,20(17)22(34)21(16)33)24-31-30-23(36-24)15(3)29-25(35)37-26(4,5)6/h12,14-15,19H,9-11,13H2,1-8H3,(H,29,35)/t15-,19-,28+/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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531175
(CHEMBL4469324)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C |r,c:11,t:5| Show InChI InChI=1S/C28H37N3O6/c1-14(2)16-12-17-18(32)13-19-27(7,8)10-9-11-28(19,20(17)22(34)21(16)33)24-31-30-23(36-24)15(3)29-25(35)37-26(4,5)6/h12,14-15,19H,9-11,13H2,1-8H3,(H,29,35)/t15-,19-,28+/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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531175
(CHEMBL4469324)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C |r,c:11,t:5| Show InChI InChI=1S/C28H37N3O6/c1-14(2)16-12-17-18(32)13-19-27(7,8)10-9-11-28(19,20(17)22(34)21(16)33)24-31-30-23(36-24)15(3)29-25(35)37-26(4,5)6/h12,14-15,19H,9-11,13H2,1-8H3,(H,29,35)/t15-,19-,28+/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 | 252 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531175
(CHEMBL4469324)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C |r,c:11,t:5| Show InChI InChI=1S/C28H37N3O6/c1-14(2)16-12-17-18(32)13-19-27(7,8)10-9-11-28(19,20(17)22(34)21(16)33)24-31-30-23(36-24)15(3)29-25(35)37-26(4,5)6/h12,14-15,19H,9-11,13H2,1-8H3,(H,29,35)/t15-,19-,28+/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 | 252 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM25259
(3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphono...)Show SMILES CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human GGPPS |
J Med Chem 62: 2564-2581 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01878 BindingDB Entry DOI: 10.7270/Q2S75KV9 |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531202
(CHEMBL4519472)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/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 | 289 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531202
(CHEMBL4519472)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/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 | 289 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531202
(CHEMBL4519472)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531202
(CHEMBL4519472)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531202
(CHEMBL4519472)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531202
(CHEMBL4519472)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531187
(CHEMBL4586056)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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 | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531187
(CHEMBL4586056)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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 | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531187
(CHEMBL4586056)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531187
(CHEMBL4586056)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531187
(CHEMBL4586056)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) measured after 30 mins |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531187
(CHEMBL4586056)Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) measured after 30 mins |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531174
(CHEMBL4550442)Show SMILES [H][C@@]12C3OC(=O)[C@@]1(CCCC2(C)C)C1=C(C=C(C(C)C)C(=O)C1=O)C3=O |r,t:15,17,THB:5:4:24.14.13:1| Show InChI InChI=1S/C20H22O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,16-17H,5-7H2,1-4H3/t16?,17-,20-/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 | 389 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531174
(CHEMBL4550442)Show SMILES [H][C@@]12C3OC(=O)[C@@]1(CCCC2(C)C)C1=C(C=C(C(C)C)C(=O)C1=O)C3=O |r,t:15,17,THB:5:4:24.14.13:1| Show InChI InChI=1S/C20H22O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,16-17H,5-7H2,1-4H3/t16?,17-,20-/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 | 389 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531189
(CHEMBL4447309)Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(N)o1 |r| Show InChI InChI=1S/C21H29N3O3/c1-11(2)13-10-12-6-7-14-20(3,4)8-5-9-21(14,15(12)17(26)16(13)25)18-23-24-19(22)27-18/h10-11,14,25-26H,5-9H2,1-4H3,(H2,22,24)/t14-,21+/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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531174
(CHEMBL4550442)Show SMILES [H][C@@]12C3OC(=O)[C@@]1(CCCC2(C)C)C1=C(C=C(C(C)C)C(=O)C1=O)C3=O |r,t:15,17,THB:5:4:24.14.13:1| Show InChI InChI=1S/C20H22O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,16-17H,5-7H2,1-4H3/t16?,17-,20-/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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531174
(CHEMBL4550442)Show SMILES [H][C@@]12C3OC(=O)[C@@]1(CCCC2(C)C)C1=C(C=C(C(C)C)C(=O)C1=O)C3=O |r,t:15,17,THB:5:4:24.14.13:1| Show InChI InChI=1S/C20H22O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,16-17H,5-7H2,1-4H3/t16?,17-,20-/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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531189
(CHEMBL4447309)Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(N)o1 |r| Show InChI InChI=1S/C21H29N3O3/c1-11(2)13-10-12-6-7-14-20(3,4)8-5-9-21(14,15(12)17(26)16(13)25)18-23-24-19(22)27-18/h10-11,14,25-26H,5-9H2,1-4H3,(H2,22,24)/t14-,21+/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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |
Farnesyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50531174
(CHEMBL4550442)Show SMILES [H][C@@]12C3OC(=O)[C@@]1(CCCC2(C)C)C1=C(C=C(C(C)C)C(=O)C1=O)C3=O |r,t:15,17,THB:5:4:24.14.13:1| Show InChI InChI=1S/C20H22O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,16-17H,5-7H2,1-4H3/t16?,17-,20-/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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsinghua University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I... |
J Med Chem 62: 10867-10896 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH |
More data for this Ligand-Target Pair | |