BDBM12577 Bisphosphonate 2::CHEMBL997::JMC515594 Compound 53::{1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid

SMILES: CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI Key: InChIKey=MPBVHIBUJCELCL-UHFFFAOYSA-N

Data: 3 KI  9 IC50  2 ITC

PDB links: 4 PDB IDs match this monomer.

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 12 hits for monomerid = 12577   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Geranylgeranyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Geranylgeranyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Farnesyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
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Squalene synthase (Rat)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Farnesyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Human)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...) Show SMILES Show InChI	GoogleScholar	UniChem		195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 12577

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Farnesyl Diphosphate Synthase (FPPS) (Trypanosoma brucei)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...)	GoogleScholar			-9.13	-15.2	6.02	6.71	7.40	26.9
TBA					Details of this binding reaction
Farnesyl Diphosphate Synthase (FPPS) (Trypanosoma brucei)	BDBM12577 ({1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonoprop...)	GoogleScholar			-8.38	-11.4	2.91	6.16	8.5	26.9
TBA					Details of this binding reaction