Found 5 hits for monomerid = 50421094 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)) | BDBM50421094
(CHEMBL2088339)Show SMILES OP(O)(=O)C(Nc1cncc(c1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l... |
J Med Chem 57: 5764-76 (2014)
Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl diphosphate synthase
(Homo sapiens (Human)) | BDBM50421094
(CHEMBL2088339)Show SMILES OP(O)(=O)C(Nc1cncc(c1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of FPPS (unknown origin) |
J Med Chem 57: 5764-76 (2014)
Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl diphosphate synthase
(Homo sapiens (Human)) | BDBM50421094
(CHEMBL2088339)Show SMILES OP(O)(=O)C(Nc1cncc(c1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 16 | 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) |
Farnesyl diphosphate synthase
(Homo sapiens (Human)) | BDBM50421094
(CHEMBL2088339)Show SMILES OP(O)(=O)C(Nc1cncc(c1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting analy... |
J Med Chem 56: 7939-50 (2013)
Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl diphosphate synthase
(Homo sapiens (Human)) | BDBM50421094
(CHEMBL2088339)Show SMILES OP(O)(=O)C(Nc1cncc(c1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti... |
J Med Chem 56: 7939-50 (2013)
Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |