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BDBM50326711 1,3-propanediphosphonic acid::CHEMBL1230579::PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID)

SMILES: OP(O)(=O)CCCP(O)(O)=O

InChI Key: InChIKey=PUVMVPFLXCHEOY-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 50326711   
Target
(Institution)
LigandTarget
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
Thymidylate synthase


(Homo sapiens (human))
BDBM50326711
PNG
(1,3-propanediphosphonic acid | CHEMBL1230579 | PRO...)
Show SMILES OP(O)(=O)CCCP(O)(O)=O
Show InChI InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
PDB
Article
PubMed
260n/an/an/an/an/an/an/an/a



Institute of Theoretical Studies gGmbH

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase by uncompetitive binding


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidylate synthase


(Homo sapiens (human))
BDBM50326711
PNG
(1,3-propanediphosphonic acid | CHEMBL1230579 | PRO...)
Show SMILES OP(O)(=O)CCCP(O)(O)=O
Show InChI InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
PDB
Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Institute of Theoretical Studies gGmbH

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase by noncompetitive binding


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)