Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl pyrophosphate synthase' and Ligand = 'BDBM50520645'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					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	Purchase 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 BindingDB Entry DOI: 10.7270/Q2CJ8HWF
					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	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was based on a literature procedure (Kavanagh, et al. J. Biol. Chem., 2006, 281, 22004-22012) with minor modifications. All assays were run...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ1470
					More data for this Ligand-Target Pair				3D Structure (crystal)