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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Activin receptor type-1B' and Ligand = 'BDBM280341'   
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-1B


(Homo sapiens (Human))
BDBM280341
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-...)
Show SMILES CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C23H22ClFN4O2/c1-4-22(30)29-23(31)17-11-26-8-7-19(17)28-21-10-20(27-12-16(21)13(2)3)15-9-14(24)5-6-18(15)25/h5-12,22,30H,2,4H2,1,3H3,(H,29,31)(H,26,27,28)/t22-/m0/s1
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PC cid
PC sid
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US Patent
n/an/a 13n/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
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280341
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-...)
Show SMILES CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C23H22ClFN4O2/c1-4-22(30)29-23(31)17-11-26-8-7-19(17)28-21-10-20(27-12-16(21)13(2)3)15-9-14(24)5-6-18(15)25/h5-12,22,30H,2,4H2,1,3H3,(H,29,31)(H,26,27,28)/t22-/m0/s1
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PC sid
UniChem
n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q24M98N9
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280341
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-...)
Show SMILES CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C23H22ClFN4O2/c1-4-22(30)29-23(31)17-11-26-8-7-19(17)28-21-10-20(27-12-16(21)13(2)3)15-9-14(24)5-6-18(15)25/h5-12,22,30H,2,4H2,1,3H3,(H,29,31)(H,26,27,28)/t22-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair