BDBM50235461 CHEMBL4074061
SMILES: Cc1ccc(cc1)-c1cc2c(NC(Cc3ccccc3)P(O)(O)=O)ncnc2s1
InChI Key: InChIKey=UYKRLVOVLULTHW-UHFFFAOYSA-N
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 |
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Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM50235461 (CHEMBL4074061) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University Curated by ChEMBL | Assay Description Inhibition of N-terminal His-tagged human recombinant FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [3H]-IPP as substrate preincubated ... | J Med Chem 60: 2119-2134 (2017) Article DOI: 10.1021/acs.jmedchem.6b01888 BindingDB Entry DOI: 10.7270/Q23F4RXR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |