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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 = 'BDBM50528191'   
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))
BDBM50528191
PNG
(CHEMBL4575999)
Show SMILES Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.81E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of ALK5 (unknown origin) expressed in HEK293 cells transfected with CAGA-luciferase and Renilla luciferase reporter measured after 24 hrs ...


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
BindingDB Entry DOI: 10.7270/Q2MK6HB1
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50528191
PNG
(CHEMBL4575999)
Show SMILES Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay


J Med Chem 63: 4978-4996 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00395
BindingDB Entry DOI: 10.7270/Q2MK6HB1
More data for this
Ligand-Target Pair