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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with all data for entry = 50049284   
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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238082
PNG
(CHEMBL4102696)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F
PDB

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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238063
PNG
(CHEMBL4101751)
Show SMILES CNC(=O)n1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12
PDB

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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238072
PNG
(CHEMBL4104104)
Show SMILES CCn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12
PDB

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n/an/a 2n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238056
PNG
(CHEMBL4060987)
Show SMILES CNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12
PDB

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n/an/a 2.5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238093
PNG
(CHEMBL4094958)
Show SMILES COc1cccc2nccc(Nc3cc(ncc3C)-c3nc(C)ccc3F)c12
PDB

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n/an/a 2.5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238084
PNG
(CHEMBL4085333)
Show SMILES CC(O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12
PDB

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n/an/a 3.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238064
PNG
(CHEMBL4063730)
Show SMILES CNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(Cl)ccc3F)c12
PDB

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n/an/a 3.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238074
PNG
(CHEMBL4075003)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(CC(N)=O)c23)c(C)cn1
PDB

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n/an/a 3.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238071
PNG
(CHEMBL4079857)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(C)c23)c(C)cn1
PDB

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n/an/a 4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238057
PNG
(CHEMBL4085263)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn(C)nc23)c(C)cn1
PDB

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n/an/a 4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238096
PNG
(CHEMBL4074485)
Show SMILES COc1cccc2nccc(Nc3cc(ncc3C)-c3cccc(C)n3)c12
PDB

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n/an/a 5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238062
PNG
(CHEMBL4075081)
Show SMILES CCNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12
PDB

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n/an/a 5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238080
PNG
(CHEMBL4073422)
Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn[nH]c23)ccn1
PDB

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n/an/a 6.30n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238077
PNG
(CHEMBL4077146)
Show SMILES C[C@@H](O)Cn1cc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c2n1 |r|
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238059
PNG
(CHEMBL4064820)
Show SMILES Fc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn[nH]c23)ccn1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238060
PNG
(CHEMBL4095435)
Show SMILES C[C@H](O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 |r|
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238078
PNG
(CHEMBL4093131)
Show SMILES C[C@H](O)Cn1cc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c2n1 |r|
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238076
PNG
(CHEMBL4074026)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn(CCO)nc23)c(C)cn1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238073
PNG
(CHEMBL4066402)
Show SMILES C[C@@H](O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 |r|
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238095
PNG
(CHEMBL4082868)
Show SMILES CCn1cc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c2n1
PDB

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n/an/a 10n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238097
PNG
(CHEMBL4075798)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn(CC(N)=O)nc23)c(C)cn1
PDB

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n/an/a 10n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238069
PNG
(CHEMBL4067488)
Show SMILES NC(=O)Cn1cc2nccc(Nc3ccnc(c3)-c3cc(Cl)ccc3F)c2n1
PDB

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n/an/a 13n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238091
PNG
(CHEMBL4097629)
Show SMILES COc1cccc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12
PDB

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n/an/a 13n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238088
PNG
(CHEMBL4101991)
Show SMILES COc1cccc2nccc(Nc3cc(ncc3C)-c3cc(Cl)ccc3F)c12
PDB

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n/an/a 13n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
The compound was measured for the 50% inhibition of phenylethanolamine N-methyl-transferase


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238058
PNG
(CHEMBL4087735)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(CCO)c23)c(C)cn1
PDB

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n/an/a 13n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238066
PNG
(CHEMBL4072325)
Show SMILES Cc1cnc(cc1Nc1ccnc2cnn(CC(N)=O)c12)-c1cc(Cl)ccc1F
PDB

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n/an/a 13n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238070
PNG
(CHEMBL4069101)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn(CC(N)=O)nc12)-c1cc(Cl)ccc1F
PDB

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n/an/a 16n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238075
PNG
(CHEMBL4103188)
Show SMILES CNC(=O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12
PDB

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n/an/a 16n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238061
PNG
(CHEMBL4092523)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn[nH]c23)ccn1
PDB

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n/an/a 16n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238065
PNG
(CHEMBL4093090)
Show SMILES CNC(=O)n1ncc2nccc(Nc3cc(ncc3C)-c3cc(Cl)ccc3F)c12
PDB

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n/an/a 16n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238081
PNG
(CHEMBL4084771)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(Cl)ccc1F
PDB

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n/an/a 16n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238087
PNG
(CHEMBL4077722)
Show SMILES COc1cccc2nccc(Nc3ccnc(c3)-c3cc(Cl)ccc3F)c12
PDB

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n/an/a 20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238068
PNG
(CHEMBL4088735)
Show SMILES CC(O)Cn1cc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c2n1
PDB

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n/an/a 20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238100
PNG
(CHEMBL4066735)
Show SMILES CCc1cnc(cc1Nc1ccnc2cccc(OC)c12)-c1cc(Cl)ccc1F
PDB

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n/an/a 25n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238090
PNG
(CHEMBL4070456)
Show SMILES COc1cccc2nccc(Nc3ccnc(c3)-c3cc(C)ccc3F)c12
PDB

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n/an/a 25n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
The compound was measured for the 50% inhibition of phenylethanolamine N-methyl-transferase


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238067
PNG
(CHEMBL4082821)
Show SMILES NC(=O)Cn1cc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c2n1
PDB

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n/an/a 25n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238079
PNG
(CHEMBL4064329)
Show SMILES CNC(=O)Cn1cc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c2n1
PDB

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n/an/a 32n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238086
PNG
(CHEMBL4078651)
Show SMILES COc1cccc2nccc(Nc3cc(ncc3C)-c3cccc(Cl)c3)c12
PDB

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n/an/a 32n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238092
PNG
(CHEMBL4100266)
Show SMILES COc1cccc2nccc(Nc3ccnc(c3)-c3nc(C)ccc3F)c12
PDB

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n/an/a 40n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238083
PNG
(CHEMBL4089166)
Show SMILES NC(=O)Cn1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12
PDB

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n/an/a 50n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238089
PNG
(CHEMBL4094260)
Show SMILES COc1cccc2nccc(Nc3cc(ncc3C3CC3)-c3cc(Cl)ccc3F)c12
PDB

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n/an/a 50n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238094
PNG
(CHEMBL4096361)
Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CCNCC4)nc23)ccn1
PDB

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n/an/a 100n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238099
PNG
(CHEMBL4096668)
Show SMILES COc1cccc2nccc(Nc3ccnc(c3)-c3cccc(Cl)c3)c12
PDB

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n/an/a 316n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50238082
PNG
(CHEMBL4102696)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F
PDB

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n/an/a 316n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50238081
PNG
(CHEMBL4084771)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(Cl)ccc1F
PDB

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n/an/a 398n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238085
PNG
(CHEMBL4086498)
Show SMILES COc1cccc2nccc(Nc3ccnc(c3)-c3ccccc3)c12
PDB

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n/an/a 631n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50238082
PNG
(CHEMBL4102696)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F
PDB
MMDB

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n/an/a 1.59E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238098
PNG
(CHEMBL4100799)
Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(CC4CCNCC4)c23)ccn1
PDB

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n/an/a 2.51E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50238093
PNG
(CHEMBL4094958)
Show SMILES COc1cccc2nccc(Nc3cc(ncc3C)-c3nc(C)ccc3F)c12
PDB

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n/an/a 2.51E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50238081
PNG
(CHEMBL4084771)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(Cl)ccc1F
PDB
MMDB

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n/an/a 3.16E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
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