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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-1' and Ligand = 'BDBM50238065'   
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))
BDBM50238065
PNG
(CHEMBL4093090)
Show SMILES CNC(=O)n1ncc2nccc(Nc3cc(ncc3C)-c3cc(Cl)ccc3F)c12
Show InChI InChI=1S/C20H16ClFN6O/c1-11-9-25-17(13-7-12(21)3-4-14(13)22)8-16(11)27-15-5-6-24-18-10-26-28(19(15)18)20(29)23-2/h3-10H,1-2H3,(H,23,29)(H,24,25,27)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 16n/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))
BDBM50238065
PNG
(CHEMBL4093090)
Show SMILES CNC(=O)n1ncc2nccc(Nc3cc(ncc3C)-c3cc(Cl)ccc3F)c12
Show InChI InChI=1S/C20H16ClFN6O/c1-11-9-25-17(13-7-12(21)3-4-14(13)22)8-16(11)27-15-5-6-24-18-10-26-28(19(15)18)20(29)23-2/h3-10H,1-2H3,(H,23,29)(H,24,25,27)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 32n/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