null

SMILES: OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O

InChI Key: InChIKey=DKBSGYPCHLEGLU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50520639   

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
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520639 (CHEMBL4465832 | US11279719, Example I-6) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(21-14-7-2-1-3-8-14)13-6-4-5-12(11-13)16-22-17(15-9-10-34-19(15)23-16)24-20(32(26,27)28)33(29,30)31/h1-11,20H,(H,21,25)(H,22,23,24)(H2,26,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	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
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520639 (CHEMBL4465832 | US11279719, Example I-6) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(21-14-7-2-1-3-8-14)13-6-4-5-12(11-13)16-22-17(15-9-10-34-19(15)23-16)24-20(32(26,27)28)33(29,30)31/h1-11,20H,(H,21,25)(H,22,23,24)(H2,26,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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 Y246D mutant expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 ...				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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520639 (CHEMBL4465832 | US11279719, Example I-6) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(21-14-7-2-1-3-8-14)13-6-4-5-12(11-13)16-22-17(15-9-10-34-19(15)23-16)24-20(32(26,27)28)33(29,30)31/h1-11,20H,(H,21,25)(H,22,23,24)(H2,26,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FPPS expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins in presence compound relative to control				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520639 (CHEMBL4465832 | US11279719, Example I-6) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(21-14-7-2-1-3-8-14)13-6-4-5-12(11-13)16-22-17(15-9-10-34-19(15)23-16)24-20(32(26,27)28)33(29,30)31/h1-11,20H,(H,21,25)(H,22,23,24)(H2,26,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520639 (CHEMBL4465832 | US11279719, Example I-6) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(21-14-7-2-1-3-8-14)13-6-4-5-12(11-13)16-22-17(15-9-10-34-19(15)23-16)24-20(32(26,27)28)33(29,30)31/h1-11,20H,(H,21,25)(H,22,23,24)(H2,26,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520639 (CHEMBL4465832 | US11279719, Example I-6) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(21-14-7-2-1-3-8-14)13-6-4-5-12(11-13)16-22-17(15-9-10-34-19(15)23-16)24-20(32(26,27)28)33(29,30)31/h1-11,20H,(H,21,25)(H,22,23,24)(H2,26,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	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 BindingDB Entry DOI: 10.7270/Q2CJ8HWF
					More data for this Ligand-Target Pair