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BDBM50162817 2-Amino-3-phosphonooxy-butyric acid::CHEMBL369507

SMILES: CC(OP(O)(O)=O)C(N)C(O)=O

InChI Key: InChIKey=USRGIUJOYOXOQJ-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 50162817   
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
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50162817
PNG
(2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507)
Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O
Show InChI InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
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Article
PubMed
8.50E+5n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human mitochondrial carbonic anhydrase V


Bioorg Med Chem Lett 15: 1683-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.049
BindingDB Entry DOI: 10.7270/Q2NC60PJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50162817
PNG
(2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507)
Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O
Show InChI InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
PDB
MMDB

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Article
PubMed
1.08E+6n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity towards human cytosolic carbonic anhydrase II


Bioorg Med Chem Lett 15: 1683-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.049
BindingDB Entry DOI: 10.7270/Q2NC60PJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50162817
PNG
(2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507)
Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O
Show InChI InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
PDB
MMDB

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Article
PubMed
1.23E+6n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity owards recombinant human transmembrane carbonic anhydrase IX


Bioorg Med Chem Lett 15: 1683-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.049
BindingDB Entry DOI: 10.7270/Q2NC60PJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50162817
PNG
(2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507)
Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O
Show InChI InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.18E+6n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Binding affinity towards human membrane associated carbonic anhydrase IV


Bioorg Med Chem Lett 15: 1683-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.049
BindingDB Entry DOI: 10.7270/Q2NC60PJ
More data for this
Ligand-Target Pair