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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase receptor R3' and Ligand = 'BDBM280358'   
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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM280358
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-vinyl-4-pyridyl...)
Show SMILES CC(C)[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C25H26ClFN4O2/c1-14(2)18-12-29-22(17-9-16(26)5-6-20(17)27)10-23(18)30-21-7-8-28-11-19(21)25(33)31-24(13-32)15(3)4/h5-12,15,24,32H,1,13H2,2-4H3,(H,31,33)(H,28,29,30)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM280358
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-vinyl-4-pyridyl...)
Show SMILES CC(C)[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C25H26ClFN4O2/c1-14(2)18-12-29-22(17-9-16(26)5-6-20(17)27)10-23(18)30-21-7-8-28-11-19(21)25(33)31-24(13-32)15(3)4/h5-12,15,24,32H,1,13H2,2-4H3,(H,31,33)(H,28,29,30)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM280358
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-vinyl-4-pyridyl...)
Show SMILES CC(C)[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C25H26ClFN4O2/c1-14(2)18-12-29-22(17-9-16(26)5-6-20(17)27)10-23(18)30-21-7-8-28-11-19(21)25(33)31-24(13-32)15(3)4/h5-12,15,24,32H,1,13H2,2-4H3,(H,31,33)(H,28,29,30)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM280358
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-vinyl-4-pyridyl...)
Show SMILES CC(C)[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C25H26ClFN4O2/c1-14(2)18-12-29-22(17-9-16(26)5-6-20(17)27)10-23(18)30-21-7-8-28-11-19(21)25(33)31-24(13-32)15(3)4/h5-12,15,24,32H,1,13H2,2-4H3,(H,31,33)(H,28,29,30)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent


Assay Description
Compound of the invention were screened in an in vitro kinase assay against several members of the TGFβ family of Ser/Thr kinases. The kinases t...


US Patent US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair