BDBM50386558 CHEMBL2048244

SMILES: OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCCC2)cc1)P(O)(O)=O

InChI Key: InChIKey=ITFGTTSYKBYZIX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50386558   

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))	BDBM50386558 (CHEMBL2048244) Show SMILES OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCCC2)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22N2O7P2/c20-27(21,22)17(28(23,24)25)19-16-11-13(9-10-18-16)12-5-7-15(8-6-12)26-14-3-1-2-4-14/h5-11,14,17H,1-4H2,(H,18,19)(H2,20,21,22)(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	785	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate measured after 20 m...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50386558 (CHEMBL2048244) Show SMILES OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCCC2)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22N2O7P2/c20-27(21,22)17(28(23,24)25)19-16-11-13(9-10-18-16)12-5-7-15(8-6-12)26-14-3-1-2-4-14/h5-11,14,17H,1-4H2,(H,18,19)(H2,20,21,22)(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6 tagged GGPPS expressed in Escherichia coli BL21 using FPP and [14C]IPP as substrate incubated for 10 ...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50386558 (CHEMBL2048244) Show SMILES OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCCC2)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22N2O7P2/c20-27(21,22)17(28(23,24)25)19-16-11-13(9-10-18-16)12-5-7-15(8-6-12)26-14-3-1-2-4-14/h5-11,14,17H,1-4H2,(H,18,19)(H2,20,21,22)(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 m...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
					More data for this Ligand-Target Pair