BDBM50022667 CHEMBL3299051
SMILES: Cc1ccc(cc1Cl)-c1cc2c(NCP(O)(O)=O)ncnc2s1
InChI Key: InChIKey=JQHHLVCNLMPXPL-UHFFFAOYSA-N
Data: 3 IC50
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)) | BDBM50022667 (CHEMBL3299051) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | 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 | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM50022667 (CHEMBL3299051) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.30E+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 | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM50022667 (CHEMBL3299051) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.30E+3 | 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 |