BindingDB PrimarySearch

Found 5 hits Enz. Inhib. hit(s) with Target = 'Farnesyl pyrophosphate synthase' and Ligand = 'BDBM50022663'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50022663 (CHEMBL3299047) Show SMILES Cc1ccc(cc1)-c1cc2c(NCP(O)(O)=O)ncnc2s1 Show InChI	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	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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50022663 (CHEMBL3299047) Show SMILES Cc1ccc(cc1)-c1cc2c(NCP(O)(O)=O)ncnc2s1 Show InChI	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	4.50E+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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50022663 (CHEMBL3299047) Show SMILES Cc1ccc(cc1)-c1cc2c(NCP(O)(O)=O)ncnc2s1 Show InChI	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Allosteric inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before addition of GPP a...				J Med Chem 62: 9691-9702 (2019) Article DOI: 10.1021/acs.jmedchem.9b01104 BindingDB Entry DOI: 10.7270/Q23T9MJV
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50022663 (CHEMBL3299047) Show SMILES Cc1ccc(cc1)-c1cc2c(NCP(O)(O)=O)ncnc2s1 Show InChI	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	5.00E+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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50022663 (CHEMBL3299047) Show SMILES Cc1ccc(cc1)-c1cc2c(NCP(O)(O)=O)ncnc2s1 Show InChI	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	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Binding affinity to human FPPS by isothermal titration colorimetry in absence of Mg2+ ions				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)