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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Activin receptor type-1B' and Ligand = 'BDBM280364'   
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))
BDBM280364
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{7H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ncnc23)cc1
Show InChI InChI=1S/C27H25FN6O/c1-17(2)21-14-30-24(25-22(28)5-4-11-29-25)13-23(21)33-26-20-10-12-34(27(20)32-16-31-26)15-18-6-8-19(35-3)9-7-18/h4-14,16-17H,15H2,1-3H3,(H,30,31,32,33)
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PC cid
PC sid
UniChem
US Patent
n/an/a 23.7n/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))
BDBM280364
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{7H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ncnc23)cc1
Show InChI InChI=1S/C27H25FN6O/c1-17(2)21-14-30-24(25-22(28)5-4-11-29-25)13-23(21)33-26-20-10-12-34(27(20)32-16-31-26)15-18-6-8-19(35-3)9-7-18/h4-14,16-17H,15H2,1-3H3,(H,30,31,32,33)
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PC cid
PC sid
UniChem
n/an/a 23.7n/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))
BDBM280364
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{7H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ncnc23)cc1
Show InChI InChI=1S/C27H25FN6O/c1-17(2)21-14-30-24(25-22(28)5-4-11-29-25)13-23(21)33-26-20-10-12-34(27(20)32-16-31-26)15-18-6-8-19(35-3)9-7-18/h4-14,16-17H,15H2,1-3H3,(H,30,31,32,33)
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n/an/a 23.7n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W380HG
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280364
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{7H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ncnc23)cc1
Show InChI InChI=1S/C27H25FN6O/c1-17(2)21-14-30-24(25-22(28)5-4-11-29-25)13-23(21)33-26-20-10-12-34(27(20)32-16-31-26)15-18-6-8-19(35-3)9-7-18/h4-14,16-17H,15H2,1-3H3,(H,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23.7n/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 US10501436 (2019)


BindingDB Entry DOI: 10.7270/Q20867PH
More data for this
Ligand-Target Pair