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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type I' and Ligand = 'BDBM50304850'   
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))
BDBM50304850
PNG
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(3-vinylphenyl)...)
Show SMILES Cn1c(c(-c2cccc(C=C)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C21H18N4O/c1-4-14-6-5-7-15(12-14)19-20(24(2)25(3)21(19)26)16-8-9-17-18(13-16)23-11-10-22-17/h4-13H,1H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304850
PNG
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(3-vinylphenyl)...)
Show SMILES Cn1c(c(-c2cccc(C=C)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C21H18N4O/c1-4-14-6-5-7-15(12-14)19-20(24(2)25(3)21(19)26)16-8-9-17-18(13-16)23-11-10-22-17/h4-13H,1H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 560n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of TGFR-1 in human HepG2 cells expressing PAI-luciferase by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair