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SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1

InChI Key InChIKey=CJLMANFTWLNAKC-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 102619   

TargetSerine/threonine-protein kinase receptor R3(Mus musculus)
Massachusetts Institute of Technology

LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 3.65nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZW1JKWPubMed
TargetBone morphogenetic protein receptor type-1A(Homo sapiens (Human))TBA
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 34nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9VGJPubMed
TargetBone morphogenetic protein receptor type-1A(Mus musculus)
Massachusetts Institute of Technology

LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 25.8nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZW1JKWPubMed
TargetActivin receptor type-1B(Mus musculus)
Massachusetts Institute of Technology

LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 232nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZW1JKWPubMed
TargetTGF-beta receptor type-1(Mus musculus)
Massachusetts Institute of Technology

LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 236nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZW1JKWPubMed
TargetActivin receptor type-1(Homo sapiens (Human))
Massachusetts Institute of Technology

Curated by ChEMBL
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 35nMAssay Description:Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]More data for this Ligand-Target Pair
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Massachusetts Institute of Technology

Curated by ChEMBL
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 280nMAssay Description:Inhibition of purified human ALK5 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0HS6PubMed
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Massachusetts Institute of Technology

Curated by ChEMBL
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of TGFbeta1-induced TGFbeta type 1 ALK5 in HEK293T cells after 30 mins by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0HS6PubMed
TargetActivin receptor type-1(Mus musculus)
Massachusetts Institute of Technology

Curated by ChEMBL
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 230nMAssay Description:Inhibition of BMP2-induced BMP receptor type 1 ALK2 in mouse C2C12 cells after 30 mins by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetActivin receptor type-1(Mus musculus)
Massachusetts Institute of Technology

Curated by ChEMBL
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 340nMAssay Description:Inhibition of BMP4-induced BMP receptor in mouse C2C12 cells after 30 mins by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetActivin receptor type-1(Mus musculus)
Massachusetts Institute of Technology

Curated by ChEMBL
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 420nMAssay Description:Inhibition of BMP6-induced BMP receptor type 1 ALK2 in mouse C2C12 cells after 30 mins by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
TBA

US Patent
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 723nMAssay Description:The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q81H48US Patent
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
TBA

US Patent
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 526nMAssay Description:The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q81H48US Patent
TargetSerine/threonine-protein kinase receptor R3(Homo sapiens (Human))TBA
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 1.80nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9VGJPubMed
TargetActivin receptor type-1(Homo sapiens (Human))
Massachusetts Institute of Technology

Curated by ChEMBL
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 1.10nMMore data for this Ligand-Target Pair
TargetActivin receptor type-1(Mus musculus)
Massachusetts Institute of Technology

Curated by ChEMBL
LigandPNGBDBM102619(K02288a | US10688093, Compound 382_0087_0284 | US1...)copy SMILEScopy InChI
Affinity DataIC50: 1.20nMMore data for this Ligand-Target Pair