BDBM25271 3-[(3,7-dimethyloctyl)oxy]-1-(2-hydrogen phosphonato-2-phosphonoethyl)pyridin-1-ium::bisphosphonate, 24

SMILES: CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1

InChI Key: InChIKey=WHQLUYYDOZYPJB-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 25271   

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 Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25271 (3-[(3,7-dimethyloctyl)oxy]-1-(2-hydrogen phosphona...) Show SMILES CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C17H31NO7P2/c1-14(2)6-4-7-15(3)9-11-25-16-8-5-10-18(12-16)13-17(26(19,20)21)27(22,23)24/h5,8,10,12,14-15,17H,4,6-7,9,11,13H2,1-3H3,(H3-,19,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	7.0	37
National Taiwan University					Assay Description The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...				J Med Chem 51: 5594-607 (2008) Article DOI: 10.1021/jm800325y BindingDB Entry DOI: 10.7270/Q2028PVT
					More data for this Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) (Escherichia coli (strain K12))	BDBM25271 (3-[(3,7-dimethyloctyl)oxy]-1-(2-hydrogen phosphona...) Show SMILES CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C17H31NO7P2/c1-14(2)6-4-7-15(3)9-11-25-16-8-5-10-18(12-16)13-17(26(19,20)21)27(22,23)24/h5,8,10,12,14-15,17H,4,6-7,9,11,13H2,1-3H3,(H3-,19,20,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UPPS in presence of IPP and FPP				J Med Chem 62: 2564-2581 (2019) Article DOI: 10.1021/acs.jmedchem.8b01878
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM25271 (3-[(3,7-dimethyloctyl)oxy]-1-(2-hydrogen phosphona...) Show SMILES CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C17H31NO7P2/c1-14(2)6-4-7-15(3)9-11-25-16-8-5-10-18(12-16)13-17(26(19,20)21)27(22,23)24/h5,8,10,12,14-15,17H,4,6-7,9,11,13H2,1-3H3,(H3-,19,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human FPPS using IPP and GPP as substrate				J Med Chem 62: 2564-2581 (2019) Article DOI: 10.1021/acs.jmedchem.8b01878
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM25271 (3-[(3,7-dimethyloctyl)oxy]-1-(2-hydrogen phosphona...) Show SMILES CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C17H31NO7P2/c1-14(2)6-4-7-15(3)9-11-25-16-8-5-10-18(12-16)13-17(26(19,20)21)27(22,23)24/h5,8,10,12,14-15,17H,4,6-7,9,11,13H2,1-3H3,(H3-,19,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human FPPS using IPP and GPP				J Med Chem 62: 2564-2581 (2019) Article DOI: 10.1021/acs.jmedchem.8b01878
					More data for this Ligand-Target Pair