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Compile Data Set for Download or QSAR

Found 89 hits of ec50 for UniProtKB: P02766   
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
Transthyretin


(Homo sapiens (Human))		BDBM576397
PNG
(7-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzothiazole...)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2ncsc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 14n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576398
PNG
(4-(3,5-dimethyl-1 H-pyrazol-4-yl)-7- ethyl-1,3-ben...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc(C)c2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 20n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576403
PNG
(5-methyl-4-(7-methyl-1,3-benzothiazol-4-yl)-1H-pyr...)
Show SMILES Cc1[nH]nc(C#N)c1-c1ccc(C)c2scnc12 |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;2.13,2.02,;2.13,3.56,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 20n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576410
PNG
(4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-1,3-benz...)
Show SMILES Cc1n[nH]c(C)c1-c1cc(F)cc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-2.69,3.54,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 21n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576408
PNG
(4-(3,5-dimethyl- 1H-pyrazol-4-yl)-6-methyl-1,3-ben...)
Show SMILES Cc1n[nH]c(C)c1-c1cc(C)cc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-2.69,3.54,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 21n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576409
PNG
(4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-methoxy-1,3-ben...)
Show SMILES COc1cc(-c2c(C)n[nH]c2C)c2ncsc2c1 |(-4.16,4.01,;-2.69,3.54,;-2.37,2.03,;-.91,1.55,;-.59,.05,;.88,-.43,;2.13,.48,;2.13,2.02,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;-1.73,-.98,;-1.73,-2.52,;-3.19,-3,;-4.1,-1.75,;-3.19,-.51,;-3.51,1,)|
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 25n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576412
PNG
(4-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-1,3-benz...)
Show SMILES Cc1n[nH]c(C)c1-c1c(F)ccc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;.24,2.58,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 29n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576396
PNG
(4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzothiazole...)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 31n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576406
PNG
(WO2022112919, Example 11)
Show SMILES COc1ccc(-c2c(C)n[nH]c2C)c2ncsc12 |(-6.12,.44,;-4.98,1.48,;-3.51,1,;-2.37,2.03,;-.91,1.55,;-.59,.05,;.88,-.43,;2.13,.48,;2.13,2.02,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;-1.73,-.98,;-1.73,-2.52,;-3.19,-3,;-4.1,-1.75,;-3.19,-.51,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 36n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576404
PNG
(5-methyl-4-[7-(trifluoromethyl)-1,3-benzothiazol-4...)
Show SMILES Cc1[nH]nc(C#N)c1-c1ccc(c2scnc12)C(F)(F)F |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;2.13,2.02,;2.13,3.56,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;-4.98,1.48,;-6.12,.44,;-5.3,2.98,;-4.66,-.03,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 36n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576407
PNG
(4-(3,5-di ethyl-1H-pyrazol-4-yl)-7-fluoro-1,3-benz...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc(F)c2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 37n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576399
PNG
(4-(3,5-dimethyl-1 H-pyrazol-4-yl)-7-(trifluoro eth...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc(c2scnc12)C(F)(F)F |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;-4.98,1.48,;-6.12,.44,;-5.3,2.98,;-4.66,-.03,)|
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 40n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576400
PNG
(4-(3,5-dimethyl-1 H-pyrazol-4-yl)-1,3-benzothiazol...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc(C#N)c2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-4.98,1.48,;-6.44,1.95,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 52n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576402
PNG
(4-(1,3-benzothiazol-4-yl)-5-methyl-1 H-pyrazole-3-...)
Show SMILES Cc1[nH]nc(C#N)c1-c1cccc2scnc12 |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;2.13,2.02,;2.13,3.56,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 66n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576413
PNG
(4-[5- ethyl-3-(trifluoro ethyl)-1 H-pyrazol-4-yl]-...)
Show SMILES Cc1[nH]nc(c1-c1cccc2scnc12)C(F)(F)F |(.45,-3.14,;1.36,-1.89,;2.9,-1.89,;3.37,-.43,;2.13,.48,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;2.13,2.02,;.79,2.79,;3.46,2.79,;3.46,1.25,)|
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 133n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576411
PNG
(4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzothiazole...)
Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2scnc12)C#N |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;-2.69,3.54,;-3.01,5.04,)|
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 159n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576414
PNG
(7-(3,5-dimethyl-1 H-pyrazol-4-yl)[1,3]thiazolo[5,4...)
Show SMILES Cc1n[nH]c(C)c1-c1ccnc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 165n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576405
PNG
(4-(3,5-dimethyl-1H-pyrazol-4-yl)[1,3]thiazolo[4,5-...)
Show SMILES Cc1n[nH]c(C)c1-c1nccc2scnc12 |(2.13,2.02,;2.13,.48,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,;.88,-.43,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 894n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM576401
PNG
(4-(3,5-dimethyl-1 H-pyrazol-4-yl)-2-methyl-1,3-ben...)
Show SMILES Cc1nc2c(cccc2s1)-c1c(C)n[nH]c1C |(-3.67,-4.46,;-3.19,-3,;-1.73,-2.52,;-1.73,-.98,;-.59,.05,;-.91,1.55,;-2.37,2.03,;-3.51,1,;-3.19,-.51,;-4.1,-1.75,;.88,-.43,;2.13,.48,;2.13,2.02,;3.37,-.43,;2.9,-1.89,;1.36,-1.89,;.45,-3.14,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
WIPO WO2022112919
n/an/an/an/a 1.78E+3n/an/an/an/a


TBA

Assay Description
TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RB77VN
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)
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n/an/an/an/a 5.60E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM50030892
PNG
(DIHYDROGUAIARETIC ACID)
Show SMILES COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3
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n/an/an/an/a 6.30E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/an/an/a 7.30E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM50029216
PNG
((E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2)ccc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/an/an/a 7.90E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/an/an/a 8.50E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR I84T mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM50029207
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
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n/an/an/an/a 8.60E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/an/an/a 8.60E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM50029215
PNG
((E)-3-(3-Hydroxy-4-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-9-7-15(13-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/an/an/a 1.10E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/an/an/a 1.26E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR L55P mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM50029198
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O
Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+
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n/an/an/an/a 1.60E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM50030893
PNG
(CHEBI:8393 | prenyl caffeate)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])c(-[#8])c1
Show InChI InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+
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n/an/an/an/a 2.10E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM50029196
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl es...)
Show SMILES CCOC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
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n/an/an/an/a 2.30E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM50029206
PNG
((E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid phenethy...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1OC
Show InChI InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+
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n/an/an/an/a 5.80E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM50029209
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl e...)
Show SMILES COC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
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n/an/an/an/a 6.70E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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n/an/an/an/a 9.70E+4n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay

J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128202
PNG
(4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine | 4-...)
Show SMILES S(c1ccccn1)c1ncnc2c3ccccc3oc12
Show InChI InChI=1S/C15H9N3OS/c1-2-6-11-10(5-1)13-14(19-11)15(18-9-17-13)20-12-7-3-4-8-16-12/h1-9H
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n/an/an/an/a>1.67E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128203
PNG
((6,7-Dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a...)
Show SMILES Cc1ccc(Nc2c3CCCc3nc3ncnn23)cc1
Show InChI InChI=1S/C15H15N5/c1-10-5-7-11(8-6-10)18-14-12-3-2-4-13(12)19-15-16-9-17-20(14)15/h5-9,18H,2-4H2,1H3
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n/an/an/an/a>1.67E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128204
PNG
((4-chloranyl-2-methyl-pyrazol-3-yl)-(2,3-dihydroin...)
Show SMILES Cn1ncc(Cl)c1C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C13H12ClN3O/c1-16-12(10(14)8-15-16)13(18)17-7-6-9-4-2-3-5-11(9)17/h2-5,8H,6-7H2,1H3
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n/an/an/an/a>1.67E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128205
PNG
(6-(1,3-benzodioxol-5-yl)-3-cyclohexyl-7H-[1,2,4]tr...)
Show SMILES C1Oc2ccc(cc2O1)C1=Nn2c(SC1)nnc2C1CCCCC1 |t:11|
Show InChI InChI=1S/C17H18N4O2S/c1-2-4-11(5-3-1)16-18-19-17-21(16)20-13(9-24-17)12-6-7-14-15(8-12)23-10-22-14/h6-8,11H,1-5,9-10H2
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n/an/an/an/a>1.67E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128206
PNG
(2,3-dihydroindol-1-yl-(5-methyl-2-phenyl-3-pyrazol...)
Show SMILES Cc1cc(C(=O)N2CCc3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-14-13-18(22(20-14)16-8-3-2-4-9-16)19(23)21-12-11-15-7-5-6-10-17(15)21/h2-10,13H,11-12H2,1H3
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n/an/an/an/a>1.67E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM44773
PNG
(MLS000103167 | N-[4-(3-methoxyphenyl)-1,3-thiazol-...)
Show SMILES COc1cccc(c1)-c1csc(NC(=O)C2CC2)n1
Show InChI InChI=1S/C14H14N2O2S/c1-18-11-4-2-3-10(7-11)12-8-19-14(15-12)16-13(17)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128207
PNG
((Z)-2-(1,3-benzoxazol-2-yl)-3-(2-pyridinylamino)-2...)
Show SMILES O=C\C(=C/Nc1ccccn1)c1nc2ccccc2o1
Show InChI InChI=1S/C15H11N3O2/c19-10-11(9-17-14-7-3-4-8-16-14)15-18-12-5-1-2-6-13(12)20-15/h1-10H,(H,16,17)/b11-9+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128208
PNG
(1-(2,3-Dimethyl-indol-1-yl)-2-(3,5-dimethyl-pyrazo...)
Show SMILES Cc1cc(C)n(CC(=O)n2c(C)c(C)c3ccccc23)n1
Show InChI InChI=1S/C17H19N3O/c1-11-9-12(2)19(18-11)10-17(21)20-14(4)13(3)15-7-5-6-8-16(15)20/h5-9H,10H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128209
PNG
(5-methyl-N'-[(5-methyl-2-furyl)methylene]-3-th...)
Show SMILES Cc1ccc(\C=N\NC(=O)c2csc(C)c2)o1
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-4-11(16-8)6-13-14-12(15)10-5-9(2)17-7-10/h3-7H,1-2H3,(H,14,15)/b13-6+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128210
PNG
(1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]indoline | 2...)
Show SMILES Cn1nccc1C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C13H13N3O/c1-15-12(6-8-14-15)13(17)16-9-7-10-4-2-3-5-11(10)16/h2-6,8H,7,9H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128211
PNG
(7-[(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]...)
Show SMILES Cc1cccc(NC(c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)n1
Show InChI InChI=1S/C23H21N3O2/c1-14-4-3-5-20(24-14)26-21(16-8-11-18(27)12-9-16)19-13-10-17-7-6-15(2)25-22(17)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM50091
PNG
(4-(4-ethoxyanilino)-5-[(4-oxo-1-cyclohexa-2,5-dien...)
Show SMILES CCOc1ccc(Nc2[nH]c(=O)sc2C=C2C=CC(=O)C=C2)cc1 |c:17,21,(3.08,-6.25,;3.08,-4.71,;4.41,-3.94,;4.41,-2.4,;3.08,-1.63,;3.08,-.09,;4.41,.68,;4.41,2.22,;5.75,2.99,;5.91,4.52,;7.41,4.84,;8.04,6.25,;8.18,3.51,;7.15,2.36,;7.47,.86,;8.94,.38,;9.26,-1.12,;10.72,-1.6,;11.87,-.57,;13.33,-1.05,;11.55,.94,;10.08,1.41,;5.75,-.09,;5.75,-1.63,)|
Show InChI InChI=1S/C18H16N2O3S/c1-2-23-15-9-5-13(6-10-15)19-17-16(24-18(22)20-17)11-12-3-7-14(21)8-4-12/h3-11,19H,2H2,1H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM96956
PNG
(4-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-...)
Show SMILES Cc1cnc(NC(=O)CCCc2nc3ccccc3s2)s1
Show InChI InChI=1S/C15H15N3OS2/c1-10-9-16-15(20-10)18-13(19)7-4-8-14-17-11-5-2-3-6-12(11)21-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128212
PNG
(4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]b...)
Show SMILES OC(=O)c1ccc(CSc2nnc(Cc3ccccc3)o2)cc1
Show InChI InChI=1S/C17H14N2O3S/c20-16(21)14-8-6-13(7-9-14)11-23-17-19-18-15(22-17)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM50308499
PNG
(CHEMBL602722 | Ethyl 5-(4-chlorobenzoyl)-4-phenylt...)
Show SMILES CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C19H15ClN2O3S/c1-2-25-19(24)22-18-21-15(12-6-4-3-5-7-12)17(26-18)16(23)13-8-10-14(20)11-9-13/h3-11H,2H2,1H3,(H,21,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM128213
PNG
(MLS000545606 | N'-[(1-ethyl-5-methyl-1H-pyrazo...)
Show SMILES CCn1ncc(\C=N/NC(=O)c2csc3ccccc23)c1C
Show InChI InChI=1S/C16H16N4OS/c1-3-20-11(2)12(9-18-20)8-17-19-16(21)14-10-22-15-7-5-4-6-13(14)15/h4-10H,3H2,1-2H3,(H,19,21)/b17-8-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
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