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PDB code 4ABV

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))
BDBM50225217
PNG
(5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol | C...)
Show SMILES Oc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2
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 850n/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))
BDBM50225217
PNG
(5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol | C...)
Show SMILES Oc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2
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 5.70n/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