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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Activin receptor type-1 [172-499]' and Ligand = 'BDBM451780'   
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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451780
PNG
(US10710980, Example 12 | US10947218, Example 12)
Show SMILES CC(C)N1CCC(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(6.61,-4.95,;7.51,-3.7,;9.04,-3.86,;6.89,-2.29,;7.66,-.96,;6.63,.18,;5.22,-.44,;5.38,-1.97,;3.88,.33,;2.55,-.44,;1.22,.33,;1.22,1.87,;2.55,2.64,;3.88,1.87,;-.12,2.64,;-.12,4.18,;-1.45,4.95,;-2.78,4.18,;-4.12,4.95,;-2.78,2.64,;-1.45,1.87,;-4.12,1.87,;-5.45,2.64,;-4.12,.33,;-5.45,-.44,;-5.32,-1.98,;-6.58,-2.86,;-7.97,-2.21,;-9.04,-3.06,;-8.11,-.67,;-6.85,.21,)|
Show InChI InChI=1S/C25H34N4O2/c1-16(2)29-12-11-19(15-29)17-3-5-18(6-4-17)20-13-23(24(26)27-14-20)25(31)28-21-7-9-22(30)10-8-21/h3-6,13-14,16,19,21-22,30H,7-12,15H2,1-2H3,(H2,26,27)(H,28,31)/t19?,21-,22-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451780
PNG
(US10710980, Example 12 | US10947218, Example 12)
Show SMILES CC(C)N1CCC(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(6.61,-4.95,;7.51,-3.7,;9.04,-3.86,;6.89,-2.29,;7.66,-.96,;6.63,.18,;5.22,-.44,;5.38,-1.97,;3.88,.33,;2.55,-.44,;1.22,.33,;1.22,1.87,;2.55,2.64,;3.88,1.87,;-.12,2.64,;-.12,4.18,;-1.45,4.95,;-2.78,4.18,;-4.12,4.95,;-2.78,2.64,;-1.45,1.87,;-4.12,1.87,;-5.45,2.64,;-4.12,.33,;-5.45,-.44,;-5.32,-1.98,;-6.58,-2.86,;-7.97,-2.21,;-9.04,-3.06,;-8.11,-.67,;-6.85,.21,)|
Show InChI InChI=1S/C25H34N4O2/c1-16(2)29-12-11-19(15-29)17-3-5-18(6-4-17)20-13-23(24(26)27-14-20)25(31)28-21-7-9-22(30)10-8-21/h3-6,13-14,16,19,21-22,30H,7-12,15H2,1-2H3,(H2,26,27)(H,28,31)/t19?,21-,22-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451780
PNG
(US10710980, Example 12 | US10947218, Example 12)
Show SMILES CC(C)N1CCC(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(6.61,-4.95,;7.51,-3.7,;9.04,-3.86,;6.89,-2.29,;7.66,-.96,;6.63,.18,;5.22,-.44,;5.38,-1.97,;3.88,.33,;2.55,-.44,;1.22,.33,;1.22,1.87,;2.55,2.64,;3.88,1.87,;-.12,2.64,;-.12,4.18,;-1.45,4.95,;-2.78,4.18,;-4.12,4.95,;-2.78,2.64,;-1.45,1.87,;-4.12,1.87,;-5.45,2.64,;-4.12,.33,;-5.45,-.44,;-5.32,-1.98,;-6.58,-2.86,;-7.97,-2.21,;-9.04,-3.06,;-8.11,-.67,;-6.85,.21,)|
Show InChI InChI=1S/C25H34N4O2/c1-16(2)29-12-11-19(15-29)17-3-5-18(6-4-17)20-13-23(24(26)27-14-20)25(31)28-21-7-9-22(30)10-8-21/h3-6,13-14,16,19,21-22,30H,7-12,15H2,1-2H3,(H2,26,27)(H,28,31)/t19?,21-,22-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...


US Patent US10947218 (2021)


BindingDB Entry DOI: 10.7270/Q24F1TVV
More data for this
Ligand-Target Pair
Activin receptor type-1 [172-499]


(Homo sapiens (Human))
BDBM451780
PNG
(US10710980, Example 12 | US10947218, Example 12)
Show SMILES CC(C)N1CCC(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(6.61,-4.95,;7.51,-3.7,;9.04,-3.86,;6.89,-2.29,;7.66,-.96,;6.63,.18,;5.22,-.44,;5.38,-1.97,;3.88,.33,;2.55,-.44,;1.22,.33,;1.22,1.87,;2.55,2.64,;3.88,1.87,;-.12,2.64,;-.12,4.18,;-1.45,4.95,;-2.78,4.18,;-4.12,4.95,;-2.78,2.64,;-1.45,1.87,;-4.12,1.87,;-5.45,2.64,;-4.12,.33,;-5.45,-.44,;-5.32,-1.98,;-6.58,-2.86,;-7.97,-2.21,;-9.04,-3.06,;-8.11,-.67,;-6.85,.21,)|
Show InChI InChI=1S/C25H34N4O2/c1-16(2)29-12-11-19(15-29)17-3-5-18(6-4-17)20-13-23(24(26)27-14-20)25(31)28-21-7-9-22(30)10-8-21/h3-6,13-14,16,19,21-22,30H,7-12,15H2,1-2H3,(H2,26,27)(H,28,31)/t19?,21-,22-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...


US Patent US10710980 (2020)


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