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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 = 'BDBM283089'   
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))
BDBM283089
PNG
(4-(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H-...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(N3CCOCC3)n2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F3N5O/c23-17-4-1-15(2-5-17)21-22(29(14-27-21)13-18(24)25)16-3-6-19-26-11-20(30(19)12-16)28-7-9-31-10-8-28/h1-6,11-12,14,18H,7-10,13H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 376n/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))
BDBM283089
PNG
(4-(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H-...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(N3CCOCC3)n2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F3N5O/c23-17-4-1-15(2-5-17)21-22(29(14-27-21)13-18(24)25)16-3-6-19-26-11-20(30(19)12-16)28-7-9-31-10-8-28/h1-6,11-12,14,18H,7-10,13H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 376n/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