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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 = 'BDBM282844'   
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))
BDBM282844
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-isopropyl-1H- imi...)
Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H14ClFN6/c1-11(2)26-10-24-18(12-3-4-15(21)14(20)7-12)19(26)16-5-6-17-23-9-13(8-22)27(17)25-16/h3-7,9-11H,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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))
BDBM282844
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-isopropyl-1H- imi...)
Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H14ClFN6/c1-11(2)26-10-24-18(12-3-4-15(21)14(20)7-12)19(26)16-5-6-17-23-9-13(8-22)27(17)25-16/h3-7,9-11H,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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