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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 = 'BDBM282799'   
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))
BDBM282799
PNG
(6-(1-(4,4-difluorocyclohexyl)-4-(4-fluorophenyl)-1...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCC(F)(F)CC2)c1-c1ccc2ncc(C#N)n2n1
Show InChI InChI=1S/C22H17F3N6/c23-15-3-1-14(2-4-15)20-21(18-5-6-19-27-12-17(11-26)31(19)29-18)30(13-28-20)16-7-9-22(24,25)10-8-16/h1-6,12-13,16H,7-10H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17.9n/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))
BDBM282799
PNG
(6-(1-(4,4-difluorocyclohexyl)-4-(4-fluorophenyl)-1...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCC(F)(F)CC2)c1-c1ccc2ncc(C#N)n2n1
Show InChI InChI=1S/C22H17F3N6/c23-15-3-1-14(2-4-15)20-21(18-5-6-19-27-12-17(11-26)31(19)29-18)30(13-28-20)16-7-9-22(24,25)10-8-16/h1-6,12-13,16H,7-10H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17.9n/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