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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bone morphogenetic protein receptor type-1B' and Ligand = 'BDBM451791'   
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
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM451791
PNG
(US10710980, Example 23 | US10947218, Example 23)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CC3(CCC3)C2)cc1 |r,wU:10.10,wD:13.14,(-4.25,3.17,;-2.92,2.4,;-1.59,3.17,;-.25,2.4,;-.25,.86,;-1.59,.09,;-2.92,.86,;-4.25,.09,;-4.25,-1.45,;-5.59,.86,;-6.92,.09,;-6.52,-1.39,;-7.61,-2.48,;-9.1,-2.08,;-10.19,-3.17,;-9.5,-.6,;-8.41,.49,;1.08,.09,;1.08,-1.45,;2.41,-2.22,;3.75,-1.45,;5.08,-2.22,;6.42,-1.45,;7.9,-1.85,;8.3,-.36,;9.79,-.76,;10.19,.73,;8.7,1.13,;6.81,.04,;3.75,.09,;2.41,.86,)|
Show InChI InChI=1S/C25H32N4O2/c26-23-22(24(31)28-20-6-8-21(30)9-7-20)12-19(13-27-23)18-4-2-17(3-5-18)14-29-15-25(16-29)10-1-11-25/h2-5,12-13,20-21,30H,1,6-11,14-16H2,(H2,26,27)(H,28,31)/t20-,21-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40E+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
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM451791
PNG
(US10710980, Example 23 | US10947218, Example 23)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CC3(CCC3)C2)cc1 |r,wU:10.10,wD:13.14,(-4.25,3.17,;-2.92,2.4,;-1.59,3.17,;-.25,2.4,;-.25,.86,;-1.59,.09,;-2.92,.86,;-4.25,.09,;-4.25,-1.45,;-5.59,.86,;-6.92,.09,;-6.52,-1.39,;-7.61,-2.48,;-9.1,-2.08,;-10.19,-3.17,;-9.5,-.6,;-8.41,.49,;1.08,.09,;1.08,-1.45,;2.41,-2.22,;3.75,-1.45,;5.08,-2.22,;6.42,-1.45,;7.9,-1.85,;8.3,-.36,;9.79,-.76,;10.19,.73,;8.7,1.13,;6.81,.04,;3.75,.09,;2.41,.86,)|
Show InChI InChI=1S/C25H32N4O2/c26-23-22(24(31)28-20-6-8-21(30)9-7-20)12-19(13-27-23)18-4-2-17(3-5-18)14-29-15-25(16-29)10-1-11-25/h2-5,12-13,20-21,30H,1,6-11,14-16H2,(H2,26,27)(H,28,31)/t20-,21-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40E+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