BDBM50097884 (1-hydroxy-1-phosphono-butyl)-phosphonic acid::1-hydroxybutane-1,1-diyldiphosphonic acid::CHEMBL52761

SMILES: CCCC(O)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=RUPZRJCPTQGQRU-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50097884   

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))	BDBM50097884 ((1-hydroxy-1-phosphono-butyl)-phosphonic acid | 1-...) Show SMILES CCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H12O7P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h5H,2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50097884 ((1-hydroxy-1-phosphono-butyl)-phosphonic acid | 1-...) Show SMILES CCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H12O7P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h5H,2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.20E+5	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 the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).				J Med Chem 45: 2185-96 (2002) BindingDB Entry DOI: 10.7270/Q2KH0MN1
					More data for this Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei)	BDBM50097884 ((1-hydroxy-1-phosphono-butyl)-phosphonic acid | 1-...) Show SMILES CCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H12O7P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h5H,2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli				J Med Chem 48: 6128-39 (2005) Article DOI: 10.1021/jm058220g BindingDB Entry DOI: 10.7270/Q2F47PX2
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50097884 ((1-hydroxy-1-phosphono-butyl)-phosphonic acid | 1-...) Show SMILES CCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H12O7P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h5H,2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50097884 ((1-hydroxy-1-phosphono-butyl)-phosphonic acid | 1-...) Show SMILES CCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H12O7P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h5H,2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM50097884 ((1-hydroxy-1-phosphono-butyl)-phosphonic acid | 1-...) Show SMILES CCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H12O7P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h5H,2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair