Found 3 hits for monomerid = 50520645 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 pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50520645
(CHEMBL2347859 | US11279719, Example C-5)Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-7-25-12(9)15-10(14-11)8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human FPPS using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting |
J Med Chem 61: 6904-6917 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00886 |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50520645
(CHEMBL2347859 | US11279719, Example C-5)Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-7-25-12(9)15-10(14-11)8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase
(Homo sapiens (Human)) | BDBM50520645
(CHEMBL2347859 | US11279719, Example C-5)Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-7-25-12(9)15-10(14-11)8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint... |
J Med Chem 61: 6904-6917 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00886 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |