Found 4 hits for monomerid = 50386555 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Farnesyl diphosphate synthase
(Homo sapiens (Human)) | BDBM50386555
(CHEMBL2048241)Show SMILES CC(C)Oc1ccc(cc1)-c1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prio... |
Bioorg Med Chem 20: 5583-91 (2012)
Article DOI: 10.1016/j.bmc.2012.07.019 BindingDB Entry DOI: 10.7270/Q2J67J6M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl Diphosphate Synthase (GGPPS)
(Homo sapiens (Human)) | BDBM50386555
(CHEMBL2048241)Show SMILES CC(C)Oc1ccc(cc1)-c1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6 tagged GGPPS expressed in Escherichia coli BL21 using FPP and [14C]IPP as substrate incubated for 10 ... |
J Med Chem 55: 3201-15 (2012)
Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1 |
More data for this Ligand-Target Pair | |
Farnesyl diphosphate synthase
(Homo sapiens (Human)) | BDBM50386555
(CHEMBL2048241)Show SMILES CC(C)Oc1ccc(cc1)-c1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate measured after 20 m... |
J Med Chem 55: 3201-15 (2012)
Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl diphosphate synthase
(Homo sapiens (Human)) | BDBM50386555
(CHEMBL2048241)Show SMILES CC(C)Oc1ccc(cc1)-c1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 m... |
J Med Chem 55: 3201-15 (2012)
Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |