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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-1' and Ligand = 'BDBM50238071'   
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-1


(Homo sapiens (Human))
BDBM50238071
PNG
(CHEMBL4079857)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(C)c23)c(C)cn1
Show InChI InChI=1S/C20H18FN5/c1-12-4-5-15(21)14(8-12)18-9-17(13(2)10-23-18)25-16-6-7-22-19-11-24-26(3)20(16)19/h4-11H,1-3H3,(H,22,23,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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-1


(Homo sapiens (Human))
BDBM50238071
PNG
(CHEMBL4079857)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(C)c23)c(C)cn1
Show InChI InChI=1S/C20H18FN5/c1-12-4-5-15(21)14(8-12)18-9-17(13(2)10-23-18)25-16-6-7-22-19-11-24-26(3)20(16)19/h4-11H,1-3H3,(H,22,23,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in human Calu6 cells assessed as reduction in Smad2/3 phosphorylation


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-1


(Homo sapiens (Human))
BDBM50238071
PNG
(CHEMBL4079857)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(C)c23)c(C)cn1
Show InChI InChI=1S/C20H18FN5/c1-12-4-5-15(21)14(8-12)18-9-17(13(2)10-23-18)25-16-6-7-22-19-11-24-26(3)20(16)19/h4-11H,1-3H3,(H,22,23,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...


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