BDBM50135838 (Azepan-1-yl-phosphono-methyl)-phosphonic acid::1-(Bis-phosphono-methyl)-azepanium::CHEMBL54472::[(hexahydro-1H-azepin-1yl)methylene]-1,1-bisphosphonate::azepan-1-ylmethylenediphosphonic acid

SMILES: OP(O)(=O)C(N1CCCCCC1)P(O)(O)=O

InChI Key: InChIKey=ZHTLUMYTKGBLAN-UHFFFAOYSA-N

Data: 1 KI  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 5 hits for monomerid = 50135838   

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))	BDBM50135838 ((Azepan-1-yl-phosphono-methyl)-phosphonic acid | 1...) Show SMILES OP(O)(=O)C(N1CCCCCC1)P(O)(O)=O Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-5-3-1-2-4-6-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand				J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8
					More data for this Ligand-Target Pair
Pyrroline-5-carboxylate reductase (Arabidopsis thaliana)	BDBM50135838 ((Azepan-1-yl-phosphono-methyl)-phosphonic acid | 1...) Show SMILES OP(O)(=O)C(N1CCCCCC1)P(O)(O)=O Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-5-3-1-2-4-6-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.45E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana P5C assessed as reduction in NADH oxidation incubated at 35 degC up to 10 min				J Agric Food Chem 56: 3193-9 (2008) Article DOI: 10.1021/jf800029t BindingDB Entry DOI: 10.7270/Q2N58Q73
					More data for this Ligand-Target Pair
Pyrroline-5-carboxylate reductase (Arabidopsis thaliana)	BDBM50135838 ((Azepan-1-yl-phosphono-methyl)-phosphonic acid | 1...) Show SMILES OP(O)(=O)C(N1CCCCCC1)P(O)(O)=O Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-5-3-1-2-4-6-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.44E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana P5C assessed as reduction in NADH oxidation incubated at 35 degC up to 10 min				J Agric Food Chem 56: 3193-9 (2008) Article DOI: 10.1021/jf800029t BindingDB Entry DOI: 10.7270/Q2N58Q73
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50135838 ((Azepan-1-yl-phosphono-methyl)-phosphonic acid | 1...) Show SMILES OP(O)(=O)C(N1CCCCCC1)P(O)(O)=O Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-5-3-1-2-4-6-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14)	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	510	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase was determined				J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50135838 ((Azepan-1-yl-phosphono-methyl)-phosphonic acid | 1...) Show SMILES OP(O)(=O)C(N1CCCCCC1)P(O)(O)=O Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-5-3-1-2-4-6-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14)	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	513	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)				J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8
					More data for this Ligand-Target Pair