BDBM50135831 CHEMBL316844::[1-Hydroxy-3-(3-phenoxy-propylamino)-1-phosphono-propyl]-phosphonic acid

SMILES: OC(CCNCCCOc1ccccc1)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=KZFMRKCPGOONMR-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50135831   

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))	BDBM50135831 (CHEMBL316844 | [1-Hydroxy-3-(3-phenoxy-propylamino...) Show SMILES OC(CCNCCCOc1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C12H21NO8P2/c14-12(22(15,16)17,23(18,19)20)7-9-13-8-4-10-21-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2,(H2,15,16,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	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				3D Structure (docked)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50135831 (CHEMBL316844 | [1-Hydroxy-3-(3-phenoxy-propylamino...) Show SMILES OC(CCNCCCOc1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C12H21NO8P2/c14-12(22(15,16)17,23(18,19)20)7-9-13-8-4-10-21-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2,(H2,15,16,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	447	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				3D Structure (docked)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50135831 (CHEMBL316844 | [1-Hydroxy-3-(3-phenoxy-propylamino...) Show SMILES OC(CCNCCCOc1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C12H21NO8P2/c14-12(22(15,16)17,23(18,19)20)7-9-13-8-4-10-21-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2,(H2,15,16,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50135831 (CHEMBL316844 | [1-Hydroxy-3-(3-phenoxy-propylamino...) Show SMILES OC(CCNCCCOc1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C12H21NO8P2/c14-12(22(15,16)17,23(18,19)20)7-9-13-8-4-10-21-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2,(H2,15,16,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	450	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				3D Structure (docked)