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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-1A' and Ligand = 'BDBM102619'   
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-1A


(Mus musculus)
BDBM102619
PNG
(K02288a | US10688093, Compound 382_0087_0284 | US1...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1
Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)
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MCE
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PC cid
PC sid
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Article
PubMed
n/an/a 25.8n/an/an/an/an/an/a



Massachusetts Institute of Technology





ACS Chem Biol 8: 1291-302 (2013)


Article DOI: 10.1021/cb300655w
BindingDB Entry DOI: 10.7270/Q2ZW1JKW
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM102619
PNG
(K02288a | US10688093, Compound 382_0087_0284 | US1...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1
Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)
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antibodypedia
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MCE
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PC cid
PC sid
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128452
BindingDB Entry DOI: 10.7270/Q2JS9VGJ
More data for this
Ligand-Target Pair