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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 = 'BDBM283001'   
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))
BDBM283001
PNG
(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...)
Show SMILES ONC(=N)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14F3N7O/c19-11-3-1-10(2-4-11)16-17(27(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)26-29)28(15)25-12/h1-7,9,14,29H,8H2,(H2,22,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NP9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM283001
PNG
(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...)
Show SMILES ONC(=N)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14F3N7O/c19-11-3-1-10(2-4-11)16-17(27(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)26-29)28(15)25-12/h1-7,9,14,29H,8H2,(H2,22,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)


BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair