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BDBM50240448 2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldiphosphonic acid::CHEMBL34249::[2-(3,4-Dichloro-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid

SMILES: OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=PLCHIKRJFFNZDC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50240448   
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
Inositol-1(or 4)-monophosphatase 1


(Bos taurus)
BDBM50240448
PNG
(2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...)
Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)
PDB
MMDB

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PC cid
PC sid
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Article
n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase


Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50240448
PNG
(2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...)
Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)
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PC sid
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Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


Bioorg Med Chem 16: 8959-67 (2008)


Article DOI: 10.1016/j.bmc.2008.08.047
BindingDB Entry DOI: 10.7270/Q2639PKT
More data for this
Ligand-Target Pair