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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 = 'BDBM50355181'   
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))
BDBM50355181
PNG
(CHEMBL1835630)
Show SMILES COc1cc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(OC)c1
Show InChI InChI=1S/C24H21N7O2S/c1-15-5-4-6-21(27-15)23-20(16-7-8-22-25-14-26-30(22)12-16)13-31(29-23)24(34)28-17-9-18(32-2)11-19(10-17)33-3/h4-14H,1-3H3,(H,28,34)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.49n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50355181
PNG
(CHEMBL1835630)
Show SMILES COc1cc(NC(=S)n2cc(c(n2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(OC)c1
Show InChI InChI=1S/C24H21N7O2S/c1-15-5-4-6-21(27-15)23-20(16-7-8-22-25-14-26-30(22)12-16)13-31(29-23)24(34)28-17-9-18(32-2)11-19(10-17)33-3/h4-14H,1-3H3,(H,28,34)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.46E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as a substrate by radioisotopic protein kinase assay


Bioorg Med Chem Lett 21: 6049-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.064
BindingDB Entry DOI: 10.7270/Q2PG1SQZ
More data for this
Ligand-Target Pair