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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 = 'BDBM280350'   
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))
BDBM280350
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-(1-methoxy-1-me...)
Show SMILES COC(C)(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(C)O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H26ClFN4O3/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30)
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PC cid
PC sid
UniChem
US Patent
n/an/a 40.1n/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))
BDBM280350
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-(1-methoxy-1-me...)
Show SMILES COC(C)(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(C)O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H26ClFN4O3/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30)
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PC cid
PC sid
UniChem
n/an/a 40.1n/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))
BDBM280350
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-(1-methoxy-1-me...)
Show SMILES COC(C)(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(C)O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H26ClFN4O3/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30)
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n/an/a 40.1n/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))
BDBM280350
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-(1-methoxy-1-me...)
Show SMILES COC(C)(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(C)O)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H26ClFN4O3/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40.1n/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