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SMILES Cn1cc(cn1)-c1nc2c(cnn2cc1OCCC(C)(C)O)-c1ccnc(OC2CC2)c1

InChI Key

  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 9 hits for monomerid = 50557766   

TargetTGF-beta receptor type-2(Homo sapiens (Human))TBA
LigandPNGBDBM50557766(CHEMBL4751832)copy SMILES
Affinity DataIC50: 0.830nMAssay Description:Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1WD5PubMed
TargetActivin receptor type-2A(Homo sapiens (Human))TBA
LigandPNGBDBM50557766(CHEMBL4751832)copy SMILES
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of ACVR2A (unknown origin) using biotin- labelled KTLQDLVYDLSTSGSGSGLPLFVQRTVART substrate in presence of [gamma33P] ATP measured after 20...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1WD5PubMed
LigandPNGBDBM50557766(CHEMBL4751832)copy SMILES
Affinity DataIC50: 2.28E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells measured by whole cell patch clamp methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1WD5PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50557766(CHEMBL4751832)copy SMILES
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1WD5PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM50557766(CHEMBL4751832)copy SMILES
Affinity DataIC50: 7.80E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1WD5PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50557766(CHEMBL4751832)copy SMILES
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1WD5PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50557766(CHEMBL4751832)copy SMILES
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1WD5PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50557766(CHEMBL4751832)copy SMILES
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1WD5PubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))TBA
LigandPNGBDBM50557766(CHEMBL4751832)copy SMILES
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1WD5PubMed