BDBM50386556 CHEMBL2048242

SMILES: OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCC2)cc1)P(O)(O)=O

InChI Key: InChIKey=KOTCUKJFDSXHNS-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 = 50386556   

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))	BDBM50386556 (CHEMBL2048242) Show SMILES OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCC2)cc1)P(O)(O)=O Show InChI InChI=1S/C16H20N2O7P2/c19-26(20,21)16(27(22,23)24)18-15-10-12(8-9-17-15)11-4-6-14(7-5-11)25-13-2-1-3-13/h4-10,13,16H,1-3H2,(H,17,18)(H2,19,20,21)(H2,22,23,24)	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	35	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
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50386556 (CHEMBL2048242) Show SMILES OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCC2)cc1)P(O)(O)=O Show InChI InChI=1S/C16H20N2O7P2/c19-26(20,21)16(27(22,23)24)18-15-10-12(8-9-17-15)11-4-6-14(7-5-11)25-13-2-1-3-13/h4-10,13,16H,1-3H2,(H,17,18)(H2,19,20,21)(H2,22,23,24)	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))	BDBM50386556 (CHEMBL2048242) Show SMILES OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCC2)cc1)P(O)(O)=O Show InChI InChI=1S/C16H20N2O7P2/c19-26(20,21)16(27(22,23)24)18-15-10-12(8-9-17-15)11-4-6-14(7-5-11)25-13-2-1-3-13/h4-10,13,16H,1-3H2,(H,17,18)(H2,19,20,21)(H2,22,23,24)	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	2.09E+3	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