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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 [162-503]' and Ligand = 'BDBM451771'   
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 [162-503]


(Homo sapiens (Human))
BDBM451771
PNG
(US10710980, Example 3 | US10947218, Example 3)
Show SMILES C[C@@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.28,wD:28.32,1.0,(5.34,-3.47,;5.34,-1.93,;6.67,-1.16,;8.16,-1.55,;8.56,-.07,;10.05,-.46,;10.45,1.02,;8.96,1.42,;7.07,.33,;4.01,-1.16,;2.67,-1.93,;1.34,-1.16,;1.34,.39,;2.67,1.16,;4.01,.39,;.01,1.16,;.01,2.7,;-1.33,3.47,;-2.66,2.7,;-4,3.47,;-2.66,1.16,;-1.33,.39,;-4,.39,;-4,-1.16,;-5.33,1.16,;-6.66,.39,;-6.53,-1.15,;-7.79,-2.03,;-9.19,-1.38,;-10.45,-2.27,;-9.32,.15,;-8.06,1.04,)|
Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.13E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...


US Patent US10947218 (2021)


BindingDB Entry DOI: 10.7270/Q24F1TVV
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [162-503]


(Homo sapiens (Human))
BDBM451771
PNG
(US10710980, Example 3 | US10947218, Example 3)
Show SMILES C[C@@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.28,wD:28.32,1.0,(5.34,-3.47,;5.34,-1.93,;6.67,-1.16,;8.16,-1.55,;8.56,-.07,;10.05,-.46,;10.45,1.02,;8.96,1.42,;7.07,.33,;4.01,-1.16,;2.67,-1.93,;1.34,-1.16,;1.34,.39,;2.67,1.16,;4.01,.39,;.01,1.16,;.01,2.7,;-1.33,3.47,;-2.66,2.7,;-4,3.47,;-2.66,1.16,;-1.33,.39,;-4,.39,;-4,-1.16,;-5.33,1.16,;-6.66,.39,;-6.53,-1.15,;-7.79,-2.03,;-9.19,-1.38,;-10.45,-2.27,;-9.32,.15,;-8.06,1.04,)|
Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.13E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (“1...


US Patent US10710980 (2020)


BindingDB Entry DOI: 10.7270/Q2DF6V81
More data for this
Ligand-Target Pair