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PDB code 4ABU

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transthyretin (TTR)

  (124/124 = 100%)
(Homo sapiens (Human))
BDBM50225224
PNG
(4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde | CH...)
Show SMILES Oc1cc(C=O)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 520n/an/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Inhibition of transthyretin fibril formation at pH 4.4


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

  (124/124 = 100%)
(Homo sapiens (Human))
BDBM50225224
PNG
(4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde | CH...)
Show SMILES Oc1cc(C=O)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/a 13.9n/an/an/an/an/a



Institute of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to transthyretin at pH 4.4


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

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output