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BDBM50135841 (4-methylthiazol-2-ylamino)methylenediphosphonic acid::(Bis-phosphono-methyl)-(4-methyl-thiazol-2-yl)-ammonium::CHEMBL293116::[(4-Methyl-thiazol-2-ylamino)-phosphono-methyl]-phosphonic acid

SMILES: Cc1csc(NC(P(O)(O)=O)P(O)(O)=O)n1

InChI Key: InChIKey=WPRZJIVPPUKPKR-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 = 50135841   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50135841
PNG
((4-methylthiazol-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1csc(NC(P(O)(O)=O)P(O)(O)=O)n1
Show InChI InChI=1S/C5H10N2O6P2S/c1-3-2-16-4(6-3)7-5(14(8,9)10)15(11,12)13/h2,5H,1H3,(H,6,7)(H2,8,9,10)(H2,11,12,13)
PDB
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Article
PubMed
180n/an/an/an/an/an/an/an/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
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50135841
PNG
((4-methylthiazol-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1csc(NC(P(O)(O)=O)P(O)(O)=O)n1
Show InChI InChI=1S/C5H10N2O6P2S/c1-3-2-16-4(6-3)7-5(14(8,9)10)15(11,12)13/h2,5H,1H3,(H,6,7)(H2,8,9,10)(H2,11,12,13)
PDB
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Article
PubMed
n/an/a 347n/an/an/an/an/an/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
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50135841
PNG
((4-methylthiazol-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1csc(NC(P(O)(O)=O)P(O)(O)=O)n1
Show InChI InChI=1S/C5H10N2O6P2S/c1-3-2-16-4(6-3)7-5(14(8,9)10)15(11,12)13/h2,5H,1H3,(H,6,7)(H2,8,9,10)(H2,11,12,13)
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Article
PubMed
n/an/a 1.86E+3n/an/an/an/an/an/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
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50135841
PNG
((4-methylthiazol-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1csc(NC(P(O)(O)=O)P(O)(O)=O)n1
Show InChI InChI=1S/C5H10N2O6P2S/c1-3-2-16-4(6-3)7-5(14(8,9)10)15(11,12)13/h2,5H,1H3,(H,6,7)(H2,8,9,10)(H2,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/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