BindingDB logo
myBDB logout

BDBM50216172 (Dichloro-phosphono-methyl)-phosphonic acid::CHEMBL12318::bisphosphonate clodronate::clodronic acid

SMILES: OP(O)(=O)C(Cl)(Cl)P(O)(O)=O

InChI Key: InChIKey=ACSIXWWBWUQEHA-UHFFFAOYSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50216172   
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
Type IV secretion-like conjugative transfer relaxase protein TraI


(Escherichia coli (strain SMS-3-5 / SECEC))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

PubMed
3n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli F plasmid TraI relaxase Y16F mutant assessed as oriT ssDNA cleavage by competitive inhibition assay


Proc Natl Acad Sci USA 104: 12282-7 (2007)


BindingDB Entry DOI: 10.7270/Q2PK0JXD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.21E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.20E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.45E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair