BindingDB logo
myBDB logout

PubMed code 26214366

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50240510
PNG
(CHEMBL898 | DIFLUNISAL)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM35905
PNG
(Tolfenamic acid | cid_610479 | flufenamic acid ana...)
Show SMILES Cc1c(Cl)cccc1Nc1ccccc1C(O)=O
Show InChI InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM22971
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM85507
PNG
(CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...)
Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50109016
PNG
(Aceclofenac | CHEBI:31159)
Show SMILES OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM35905
PNG
(Tolfenamic acid | cid_610479 | flufenamic acid ana...)
Show SMILES Cc1c(Cl)cccc1Nc1ccccc1C(O)=O
Show InChI InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 150n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 1.00E+3n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM85507
PNG
(CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...)
Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 260n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50109016
PNG
(Aceclofenac | CHEBI:31159)
Show SMILES OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.20E+3n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 250n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 70n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM22971
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 480n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50240510
PNG
(CHEMBL898 | DIFLUNISAL)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
n/an/an/a 580n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%